9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C302H182N32O4S2 — CID 157435807

IUPAC9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5c6c7ccccc7n(-c7cc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccc9oc%10ccccc%10c9c8)c7)c6ccc54)cn3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)n7)c6ccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6ccc54)n3)c2)cc1.c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8sc9ccccc9c8c7)n6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6ccc54)n3)n2)cc1
InChIInChI=1S/C67H39N7O2.C62H38N6O.C62H38N6S.C59H35N9O.C52H32N4S/c1-3-15-40(16-4-1)54-37-55(41-17-5-2-6-18-41)72-67(71-54)66-68-38-45(39-69-66)74-57-24-12-8-22-49(57)65-59(74)30-29-58-64(65)48-21-7-11-23-56(48)73(58)44-35-52(42-27-31-62-50(33-42)46-19-9-13-25-60(46)75-62)70-53(36-44)43-28-32-63-51(34-43)47-20-10-14-26-61(47)76-63;1-3-16-39(17-4-1)41-20-13-22-44(36-41)60-64-61(45-23-14-21-42(37-45)40-18-5-2-6-19-40)66-62(65-60)68-52-29-11-8-26-48(52)59-54(68)34-33-53-58(59)47-25-7-10-28-51(47)67(53)57-31-15-27-50(63-57)43-32-35-56-49(38-43)46-24-9-12-30-55(46)69-56;1-3-14-39(15-4-1)41-26-30-43(31-27-41)60-64-61(44-32-28-42(29-33-44)40-16-5-2-6-17-40)66-62(65-60)68-52-23-11-8-20-48(52)59-54(68)36-35-53-58(59)47-19-7-10-22-51(47)67(53)57-25-13-21-50(63-57)45-34-37-56-49(38-45)46-18-9-12-24-55(46)69-56;1-4-17-36(18-5-1)54-61-55(37-19-6-2-7-20-37)63-57(62-54)58-64-56(38-21-8-3-9-22-38)65-59(66-58)68-46-28-14-11-25-42(46)53-48(68)33-32-47-52(53)41-24-10-13-27-45(41)67(47)51-30-16-26-44(60-51)39-31-34-50-43(35-39)40-23-12-15-29-49(40)69-50;1-2-14-33(15-3-1)35-16-4-5-17-36(35)42-22-13-27-50(54-42)56-44-24-10-7-20-39(44)52-46(56)30-29-45-51(52)38-19-6-9-23-43(38)55(45)49-26-12-21-41(53-49)34-28-31-48-40(32-34)37-18-8-11-25-47(37)57-48/h1-39H;2*1-38H;1-35H;1-32H
InChIKeyBRBUGGSFHWCWIK-UHFFFAOYSA-N
MW4387.13 g/mol
LogP76.77
Rot. Bonds33

About 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 157435807) has the molecular formula C302H182N32O4S2 and a molecular weight of 4387.13 g/mol. Its IUPAC name is 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID157435807
Molecular FormulaC302H182N32O4S2
Molecular Weight4387.13 g/mol
Exact Mass4383.45
IUPAC Name9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5c6c7ccccc7n(-c7cc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccc9oc%10ccccc%10c9c8)c7)c6ccc54)cn3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)n7)c6ccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6ccc54)n3)c2)cc1.c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8sc9ccccc9c8c7)n6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6ccc54)n3)n2)cc1
InChIInChI=1S/C67H39N7O2.C62H38N6O.C62H38N6S.C59H35N9O.C52H32N4S/c1-3-15-40(16-4-1)54-37-55(41-17-5-2-6-18-41)72-67(71-54)66-68-38-45(39-69-66)74-57-24-12-8-22-49(57)65-59(74)30-29-58-64(65)48-21-7-11-23-56(48)73(58)44-35-52(42-27-31-62-50(33-42)46-19-9-13-25-60(46)75-62)70-53(36-44)43-28-32-63-51(34-43)47-20-10-14-26-61(47)76-63;1-3-16-39(17-4-1)41-20-13-22-44(36-41)60-64-61(45-23-14-21-42(37-45)40-18-5-2-6-19-40)66-62(65-60)68-52-29-11-8-26-48(52)59-54(68)34-33-53-58(59)47-25-7-10-28-51(47)67(53)57-31-15-27-50(63-57)43-32-35-56-49(38-43)46-24-9-12-30-55(46)69-56;1-3-14-39(15-4-1)41-26-30-43(31-27-41)60-64-61(44-32-28-42(29-33-44)40-16-5-2-6-17-40)66-62(65-60)68-52-23-11-8-20-48(52)59-54(68)36-35-53-58(59)47-19-7-10-22-51(47)67(53)57-25-13-21-50(63-57)45-34-37-56-49(38-45)46-18-9-12-24-55(46)69-56;1-4-17-36(18-5-1)54-61-55(37-19-6-2-7-20-37)63-57(62-54)58-64-56(38-21-8-3-9-22-38)65-59(66-58)68-46-28-14-11-25-42(46)53-48(68)33-32-47-52(53)41-24-10-13-27-45(41)67(47)51-30-16-26-44(60-51)39-31-34-50-43(35-39)40-23-12-15-29-49(40)69-50;1-2-14-33(15-3-1)35-16-4-5-17-36(35)42-22-13-27-50(54-42)56-44-24-10-7-20-39(44)52-46(56)30-29-45-51(52)38-19-6-9-23-43(38)55(45)49-26-12-21-41(53-49)34-28-31-48-40(32-34)37-18-8-11-25-47(37)57-48/h1-39H;2*1-38H;1-35H;1-32H
InChIKeyBRBUGGSFHWCWIK-UHFFFAOYSA-N
XLogP76.77
TPSA385.44 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004387.13
LogP ≤ 576.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157432745
CID 157652393
CID 157652393
CID 157743742
CID 157743742
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
9-Dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-2-ylanthracen-9-yl)carbazole;9-dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-3-ylanthracen-9-yl)carbazole;9-dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-4-ylanthracen-9-yl)carbazole;9-dibenzothiophen-2-yl-3-isocyano-6-(10-pyridin-4-ylanthracen-9-yl)carbazole;9-(4-fluorophenyl)-3-isocyano-6-(10-quinolin-2-ylanthracen-9-yl)carbazole;3-isocyano-9-(4-nitrophenyl)-6-(10-quinolin-8-ylanthracen-9-yl)carbazole;3-isocyano-6-(10-quinolin-2-ylanthracen-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole;3-isocyano-6-(10-quinolin-8-ylanthracen-9-yl)-9-[5-(trifluoromethyl)-2-pyridinyl]carbazole
CID 160380488
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160542497
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
[4-[2,8-bis(N-phenylanilino)dibenzofuran-3-yl]-2-pyridinyl] trifluoromethanesulfonate;[3-[8-[3-(N-naphthalen-2-ylanilino)phenyl]-1-[2-(N-phenylanilino)phenyl]dibenzofuran-3-yl]phenyl] trifluoromethanesulfonate;[3-[7-[3-(N-naphthalen-2-ylanilino)phenyl]-1-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl] trifluoromethanesulfonate;[3-[5-[3-(N-naphthalen-2-ylanilino)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-9-yl]phenyl] trifluoromethanesulfonate;[8-[4-[phenanthren-2-yl-(5-phenylpyrimido[5,4-b]indol-7-yl)amino]phenyl]-2-[5-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-3-yl] trifluoromethanesulfonate
CID 164057806

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 157435807) is 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5c6c7ccccc7n(-c7cc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccc9oc%10ccccc%10c9c8)c7)c6ccc54)cn3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)n7)c6ccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6ccc54)n3)c2)cc1.c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8sc9ccccc9c8c7)n6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6ccc54)n3)n2)cc1.
What is the InChIKey of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is BRBUGGSFHWCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N7O2.C62H38N6O.C62H38N6S.C59H35N9O.C52H32N4S/c1-3-15-40(16-4-1)54-37-55(41-17-5-2-6-18-41)72-67(71-54)66-68-38-45(39-69-66)74-57-24-12-8-22-49(57)65-59(74)30-29-58-64(65)48-21-7-11-23-56(48)73(58)44-35-52(42-27-31-62-50(33-42)46-19-9-13-25-60(46)75-62)70-53(36-44)43-28-32-63-51(34-43)47-20-10-14-26-61(47)76-63;1-3-16-39(17-4-1)41-20-13-22-44(36-41)60-64-61(45-23-14-21-42(37-45)40-18-5-2-6-19-40)66-62(65-60)68-52-29-11-8-26-48(52)59-54(68)34-33-53-58(59)47-25-7-10-28-51(47)67(53)57-31-15-27-50(63-57)43-32-35-56-49(38-43)46-24-9-12-30-55(46)69-56;1-3-14-39(15-4-1)41-26-30-43(31-27-41)60-64-61(44-32-28-42(29-33-44)40-16-5-2-6-17-40)66-62(65-60)68-52-23-11-8-20-48(52)59-54(68)36-35-53-58(59)47-19-7-10-22-51(47)67(53)57-25-13-21-50(63-57)45-34-37-56-49(38-45)46-18-9-12-24-55(46)69-56;1-4-17-36(18-5-1)54-61-55(37-19-6-2-7-20-37)63-57(62-54)58-64-56(38-21-8-3-9-22-38)65-59(66-58)68-46-28-14-11-25-42(46)53-48(68)33-32-47-52(53)41-24-10-13-27-45(41)67(47)51-30-16-26-44(60-51)39-31-34-50-43(35-39)40-23-12-15-29-49(40)69-50;1-2-14-33(15-3-1)35-16-4-5-17-36(35)42-22-13-27-50(54-42)56-44-24-10-7-20-39(44)52-46(56)30-29-45-51(52)38-19-6-9-23-43(38)55(45)49-26-12-21-41(53-49)34-28-31-48-40(32-34)37-18-8-11-25-47(37)57-48/h1-39H;2*1-38H;1-35H;1-32H.
What are the key properties of 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 4387.13 g/mol, XLogP of 76.77, 33 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzofuran-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(6-dibenzothiophen-2-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzofuran-2-yl-2-pyridinyl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-[6-(2-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2,6-di(dibenzofuran-2-yl)-4-pyridinyl]-14-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 157435807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).