7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C294H205N19OS — CID 157486827

IUPAC7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc(c12)C3(C)C.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4-c4cc(-c6ccccc6)nc(-c6ccccc6)n4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c(-c6ccccc6)nc(-c6ccccc6)nc5-c5ccccc5)c4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4O6)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4S6)c3)n2)cc1
InChIInChI=1S/C67H46N4.C52H39N3.C49H35N3.C46H35N3.C40H25N3O.C40H25N3S/c1-67(2)58-27-14-12-25-52(58)54-40-57-56-39-48(46-21-16-22-49(37-46)66-68-60(44-17-6-3-7-18-44)42-61(69-66)45-19-8-4-9-20-45)32-36-64(56)71(65(57)41-59(54)67)51-33-29-43(30-34-51)47-31-35-63-55(38-47)53-26-13-15-28-62(53)70(63)50-23-10-5-11-24-50;1-51(2)41-24-14-11-21-34(41)37-27-39-40-28-38-35-22-12-15-25-42(35)52(3,4)44(38)30-49(40)55(48(39)29-43(37)51)47-26-16-13-23-36(47)46-31-45(32-17-7-5-8-18-32)53-50(54-46)33-19-9-6-10-20-33;1-49(2)41-27-14-12-25-37(41)39-30-40-38-26-13-15-28-43(38)52(44(40)31-42(39)49)36-24-16-23-35(29-36)45-46(32-17-6-3-7-18-32)50-48(34-21-10-5-11-22-34)51-47(45)33-19-8-4-9-20-33;1-45(2)35-21-12-20-33-34-25-32(26-38-42(34)49(41(33)35)43-36(45)22-13-23-37(43)46(38,3)4)30-18-11-19-31(24-30)44-47-39(28-14-7-5-8-15-28)27-40(48-44)29-16-9-6-10-17-29;2*1-3-11-26(12-4-1)33-25-34(27-13-5-2-6-14-27)42-40(41-33)30-16-9-15-28(23-30)29-21-22-35-32(24-29)31-17-10-20-38-39(31)43(35)36-18-7-8-19-37(36)44-38/h3-42H,1-2H3;5-31H,1-4H3;3-31H,1-2H3;5-27H,1-4H3;2*1-25H
InChIKeyBWUVJLIBXZWKMV-UHFFFAOYSA-N
MW4052.07 g/mol
LogP75.62
Rot. Bonds28

About 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 157486827) has the molecular formula C294H205N19OS and a molecular weight of 4052.07 g/mol. Its IUPAC name is 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID157486827
Molecular FormulaC294H205N19OS
Molecular Weight4052.07 g/mol
Exact Mass4048.63
IUPAC Name7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc(c12)C3(C)C.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4-c4cc(-c6ccccc6)nc(-c6ccccc6)n4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c(-c6ccccc6)nc(-c6ccccc6)nc5-c5ccccc5)c4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4O6)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4S6)c3)n2)cc1
InChIInChI=1S/C67H46N4.C52H39N3.C49H35N3.C46H35N3.C40H25N3O.C40H25N3S/c1-67(2)58-27-14-12-25-52(58)54-40-57-56-39-48(46-21-16-22-49(37-46)66-68-60(44-17-6-3-7-18-44)42-61(69-66)45-19-8-4-9-20-45)32-36-64(56)71(65(57)41-59(54)67)51-33-29-43(30-34-51)47-31-35-63-55(38-47)53-26-13-15-28-62(53)70(63)50-23-10-5-11-24-50;1-51(2)41-24-14-11-21-34(41)37-27-39-40-28-38-35-22-12-15-25-42(35)52(3,4)44(38)30-49(40)55(48(39)29-43(37)51)47-26-16-13-23-36(47)46-31-45(32-17-7-5-8-18-32)53-50(54-46)33-19-9-6-10-20-33;1-49(2)41-27-14-12-25-37(41)39-30-40-38-26-13-15-28-43(38)52(44(40)31-42(39)49)36-24-16-23-35(29-36)45-46(32-17-6-3-7-18-32)50-48(34-21-10-5-11-22-34)51-47(45)33-19-8-4-9-20-33;1-45(2)35-21-12-20-33-34-25-32(26-38-42(34)49(41(33)35)43-36(45)22-13-23-37(43)46(38,3)4)30-18-11-19-31(24-30)44-47-39(28-14-7-5-8-15-28)27-40(48-44)29-16-9-6-10-17-29;2*1-3-11-26(12-4-1)33-25-34(27-13-5-2-6-14-27)42-40(41-33)30-16-9-15-28(23-30)29-21-22-35-32(24-29)31-17-10-20-38-39(31)43(35)36-18-7-8-19-37(36)44-38/h3-42H,1-2H3;5-31H,1-4H3;3-31H,1-2H3;5-27H,1-4H3;2*1-25H
InChIKeyBWUVJLIBXZWKMV-UHFFFAOYSA-N
XLogP75.62
TPSA198.42 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004052.07
LogP ≤ 575.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 161436997
25-(4-Fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
CID 163947424
10'-(4-Naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134353480
5-[4-[4-[3-[17-[4-[4-[2-Dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139307308
12-[15-[4-([1]Benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 139539113
13-[4-(9,9-Dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 145764974
25-[4-Phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
CID 147000481
11,11-Dimethyl-8-[4-(4-phenylphenyl)quinazolin-2-yl]-22-oxa-15-azaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,8,13,16,18,20,23,25-dodecaene
CID 147212694
10-[4-(9,9-Dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-2-[3-[6-phenyl-2-(4-spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene-14,9'-fluorene]
CID 152978494
7-[6-(2,6-Diphenylpyrimidin-4-yl)-4'-[12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-[1]benzothiolo[3,2-a]carbazol-10-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 154939187
4-[4-[25-[6-[4-[25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-3'-yl]phenyl]-2-phenylpyrimidin-4-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-4'-yl]phenyl]-N-phenyl-N-(4-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)aniline
CID 156227624
25-(4,6-Diphenyl-1,3,5-triazin-2-yl)-4'-[3-[4-[4'-(9-phenyl-6-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylcarbazol-3-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]phenyl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
CID 156227664

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 157486827) is 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc(c12)C3(C)C.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4-c4cc(-c6ccccc6)nc(-c6ccccc6)n4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c(-c6ccccc6)nc(-c6ccccc6)nc5-c5ccccc5)c4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4O6)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4S6)c3)n2)cc1.
What is the InChIKey of 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is BWUVJLIBXZWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N4.C52H39N3.C49H35N3.C46H35N3.C40H25N3O.C40H25N3S/c1-67(2)58-27-14-12-25-52(58)54-40-57-56-39-48(46-21-16-22-49(37-46)66-68-60(44-17-6-3-7-18-44)42-61(69-66)45-19-8-4-9-20-45)32-36-64(56)71(65(57)41-59(54)67)51-33-29-43(30-34-51)47-31-35-63-55(38-47)53-26-13-15-28-62(53)70(63)50-23-10-5-11-24-50;1-51(2)41-24-14-11-21-34(41)37-27-39-40-28-38-35-22-12-15-25-42(35)52(3,4)44(38)30-49(40)55(48(39)29-43(37)51)47-26-16-13-23-36(47)46-31-45(32-17-7-5-8-18-32)53-50(54-46)33-19-9-6-10-20-33;1-49(2)41-27-14-12-25-37(41)39-30-40-38-26-13-15-28-43(38)52(44(40)31-42(39)49)36-24-16-23-35(29-36)45-46(32-17-6-3-7-18-32)50-48(34-21-10-5-11-22-34)51-47(45)33-19-8-4-9-20-33;1-45(2)35-21-12-20-33-34-25-32(26-38-42(34)49(41(33)35)43-36(45)22-13-23-37(43)46(38,3)4)30-18-11-19-31(24-30)44-47-39(28-14-7-5-8-15-28)27-40(48-44)29-16-9-6-10-17-29;2*1-3-11-26(12-4-1)33-25-34(27-13-5-2-6-14-27)42-40(41-33)30-16-9-15-28(23-30)29-21-22-35-32(24-29)31-17-10-20-38-39(31)43(35)36-18-7-8-19-37(36)44-38/h3-42H,1-2H3;5-31H,1-4H3;3-31H,1-2H3;5-27H,1-4H3;2*1-25H.
What are the key properties of 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 4052.07 g/mol, XLogP of 75.62, 28 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 157486827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).