[3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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

C308H199B4F6N19O4 — CID 159645660

IUPAC[3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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
SMILESCOc1cc(C)c(B(c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2)c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2)c(OC)c1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1B(c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1)c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.Cc1cc(C)c(B(c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)c5ccc43)c2)c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc7c8ccccc8n(-c8ccc9oc%10ccccc%10c9c8)c7cn6)c5ccc43)c2)c(C)c1.c1ccc(B2c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)ccc32)cc1
InChIInChI=1S/C104H66BN7O2.C69H43BF6N4.C69H49BN4O2.C66H41BN4/c1-61-52-62(2)104(63(3)53-61)105(64-22-20-24-66(54-64)108-85-36-14-6-30-75(85)100-90(108)46-47-92-101(100)77-32-8-16-38-87(77)110(92)68-42-45-89-79(56-68)71-26-4-12-34-83(71)107(89)69-43-50-97-81(57-69)73-28-10-18-40-95(73)113-97)65-23-21-25-67(55-65)109-86-37-15-7-31-76(86)102-91(109)48-49-93-103(102)78-33-9-17-39-88(78)112(93)99-59-80-72-27-5-13-35-84(72)111(94(80)60-106-99)70-44-51-98-82(58-70)74-29-11-19-41-96(74)114-98;1-42-40-43(68(71,72)73)41-54(69(74,75)76)67(42)70(44-28-32-48(33-29-44)79-57-26-14-10-22-52(57)65-61(79)38-36-59-63(65)50-20-8-12-24-55(50)77(59)46-16-4-2-5-17-46)45-30-34-49(35-31-45)80-58-27-15-11-23-53(58)66-62(80)39-37-60-64(66)51-21-9-13-25-56(51)78(60)47-18-6-3-7-19-47;1-44-42-51(75-2)43-64(76-3)69(44)70(45-30-34-49(35-31-45)73-58-28-16-12-24-54(58)67-62(73)40-38-60-65(67)52-22-10-14-26-56(52)71(60)47-18-6-4-7-19-47)46-32-36-50(37-33-46)74-59-29-17-13-25-55(59)68-63(74)41-39-61-66(68)53-23-11-15-27-57(53)72(61)48-20-8-5-9-21-48;1-4-18-42(19-5-1)67-53-34-32-45(70-57-30-16-12-26-49(57)65-61(70)38-36-59-63(65)47-24-10-14-28-55(47)68(59)43-20-6-2-7-21-43)40-51(53)52-41-46(33-35-54(52)67)71-58-31-17-13-27-50(58)66-62(71)39-37-60-64(66)48-25-11-15-29-56(48)69(60)44-22-8-3-9-23-44/h4-60H,1-3H3;2-41H,1H3;4-43H,1-3H3;1-41H
InChIKeyMQXOSTVSOPUCAC-UHFFFAOYSA-N
MW4387.34 g/mol
LogP71.33
Rot. Bonds30

About [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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

[3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 159645660) has the molecular formula C308H199B4F6N19O4 and a molecular weight of 4387.34 g/mol. Its IUPAC name is [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 Name[3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 CID159645660
Molecular FormulaC308H199B4F6N19O4
Molecular Weight4387.34 g/mol
Exact Mass4384.62
IUPAC Name[3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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
SMILESCOc1cc(C)c(B(c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2)c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2)c(OC)c1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1B(c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1)c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.Cc1cc(C)c(B(c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)c5ccc43)c2)c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc7c8ccccc8n(-c8ccc9oc%10ccccc%10c9c8)c7cn6)c5ccc43)c2)c(C)c1.c1ccc(B2c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)ccc32)cc1
InChIInChI=1S/C104H66BN7O2.C69H43BF6N4.C69H49BN4O2.C66H41BN4/c1-61-52-62(2)104(63(3)53-61)105(64-22-20-24-66(54-64)108-85-36-14-6-30-75(85)100-90(108)46-47-92-101(100)77-32-8-16-38-87(77)110(92)68-42-45-89-79(56-68)71-26-4-12-34-83(71)107(89)69-43-50-97-81(57-69)73-28-10-18-40-95(73)113-97)65-23-21-25-67(55-65)109-86-37-15-7-31-76(86)102-91(109)48-49-93-103(102)78-33-9-17-39-88(78)112(93)99-59-80-72-27-5-13-35-84(72)111(94(80)60-106-99)70-44-51-98-82(58-70)74-29-11-19-41-96(74)114-98;1-42-40-43(68(71,72)73)41-54(69(74,75)76)67(42)70(44-28-32-48(33-29-44)79-57-26-14-10-22-52(57)65-61(79)38-36-59-63(65)50-20-8-12-24-55(50)77(59)46-16-4-2-5-17-46)45-30-34-49(35-31-45)80-58-27-15-11-23-53(58)66-62(80)39-37-60-64(66)51-21-9-13-25-56(51)78(60)47-18-6-3-7-19-47;1-44-42-51(75-2)43-64(76-3)69(44)70(45-30-34-49(35-31-45)73-58-28-16-12-24-54(58)67-62(73)40-38-60-65(67)52-22-10-14-26-56(52)71(60)47-18-6-4-7-19-47)46-32-36-50(37-33-46)74-59-29-17-13-25-55(59)68-63(74)41-39-61-66(68)53-23-11-15-27-57(53)72(61)48-20-8-5-9-21-48;1-4-18-42(19-5-1)67-53-34-32-45(70-57-30-16-12-26-49(57)65-61(70)38-36-59-63(65)47-24-10-14-28-55(47)68(59)43-20-6-2-7-21-43)40-51(53)52-41-46(33-35-54(52)67)71-58-31-17-13-27-50(58)66-62(71)39-37-60-64(66)48-25-11-15-29-56(48)69(60)44-22-8-3-9-23-44/h4-60H,1-3H3;2-41H,1H3;4-43H,1-3H3;1-41H
InChIKeyMQXOSTVSOPUCAC-UHFFFAOYSA-N
XLogP71.33
TPSA146.37 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms341
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004387.34
LogP ≤ 571.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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

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CID 158921819
5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 159789818
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;bis(8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
CID 160828696
[3-[3,6-Bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane
CID 161289928
3-(3-Carbazol-9-ylphenyl)-9-phenylcarbazole;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 161979872
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162253280
9-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
CID 140951560
17-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 140952093
11-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140953408
9-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140954972
10-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 140955397
9-[8-[3,6-Bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 57958260

Frequently Asked Questions

What is the IUPAC name of [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 159645660) is [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 COc1cc(C)c(B(c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2)c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2)c(OC)c1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1B(c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1)c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.Cc1cc(C)c(B(c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)c5ccc43)c2)c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc7c8ccccc8n(-c8ccc9oc%10ccccc%10c9c8)c7cn6)c5ccc43)c2)c(C)c1.c1ccc(B2c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)ccc32)cc1.
What is the InChIKey of [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 MQXOSTVSOPUCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66BN7O2.C69H43BF6N4.C69H49BN4O2.C66H41BN4/c1-61-52-62(2)104(63(3)53-61)105(64-22-20-24-66(54-64)108-85-36-14-6-30-75(85)100-90(108)46-47-92-101(100)77-32-8-16-38-87(77)110(92)68-42-45-89-79(56-68)71-26-4-12-34-83(71)107(89)69-43-50-97-81(57-69)73-28-10-18-40-95(73)113-97)65-23-21-25-67(55-65)109-86-37-15-7-31-76(86)102-91(109)48-49-93-103(102)78-33-9-17-39-88(78)112(93)99-59-80-72-27-5-13-35-84(72)111(94(80)60-106-99)70-44-51-98-82(58-70)74-29-11-19-41-96(74)114-98;1-42-40-43(68(71,72)73)41-54(69(74,75)76)67(42)70(44-28-32-48(33-29-44)79-57-26-14-10-22-52(57)65-61(79)38-36-59-63(65)50-20-8-12-24-55(50)77(59)46-16-4-2-5-17-46)45-30-34-49(35-31-45)80-58-27-15-11-23-53(58)66-62(80)39-37-60-64(66)51-21-9-13-25-56(51)78(60)47-18-6-3-7-19-47;1-44-42-51(75-2)43-64(76-3)69(44)70(45-30-34-49(35-31-45)73-58-28-16-12-24-54(58)67-62(73)40-38-60-65(67)52-22-10-14-26-56(52)71(60)47-18-6-4-7-19-47)46-32-36-50(37-33-46)74-59-29-17-13-25-55(59)68-63(74)41-39-61-66(68)53-23-11-15-27-57(53)72(61)48-20-8-5-9-21-48;1-4-18-42(19-5-1)67-53-34-32-45(70-57-30-16-12-26-49(57)65-61(70)38-36-59-63(65)47-24-10-14-28-55(47)68(59)43-20-6-2-7-21-43)40-51(53)52-41-46(33-35-54(52)67)71-58-31-17-13-27-50(58)66-62(71)39-37-60-64(66)48-25-11-15-29-56(48)69(60)44-22-8-3-9-23-44/h4-60H,1-3H3;2-41H,1H3;4-43H,1-3H3;1-41H.
What are the key properties of [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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?
[3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 4387.34 g/mol, XLogP of 71.33, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[14-(9-dibenzofuran-2-ylcarbazol-3-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-nonaen-9-yl]phenyl]-[3-[14-(9-dibenzofuran-2-ylpyrido[3,4-b]indol-3-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-nonaen-9-yl]phenyl]-(2,4,6-trimethylphenyl)borane;(2,4-dimethoxy-6-methylphenyl)-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;[2-methyl-4,6-bis(trifluoromethyl)phenyl]-bis[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane;9-phenyl-14-[5-phenyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzo[b][1]benzoborol-8-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 159645660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).