9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole

C156H98N4O2S3 — CID 158970145

IUPAC9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
SMILESCc1c(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc(-c2cccc3ccccc23)c2sc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc(-c4ccccc4)c(C)c3c12.c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-c5cc(-c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)cc(-n7c8ccccc8c8ccccc87)c6)cc(-n6c7ccccc7c7ccccc76)c5)cc34)cccc12
InChIInChI=1S/C84H48N2O2S2.C72H50N2S/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70;1-43-59(46-18-7-5-8-19-46)40-63(55-34-33-51(52-25-13-14-26-54(52)55)48-30-32-57-56-27-15-16-29-64(56)72(3,4)65(57)39-48)71-68(43)69-44(2)60(41-62(70(69)75-71)53-28-17-21-45-20-11-12-24-50(45)53)47-31-35-66-61(38-47)58-36-37-73-42-67(58)74(66)49-22-9-6-10-23-49/h1-48H;5-42H,1-4H3
InChIKeyJNSAOZGIINNUKH-UHFFFAOYSA-N
MW2156.73 g/mol
LogP44.86
Rot. Bonds13

About 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole

9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole (PubChem CID 158970145) has the molecular formula C156H98N4O2S3 and a molecular weight of 2156.73 g/mol. Its IUPAC name is 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
PubChem CID158970145
Molecular FormulaC156H98N4O2S3
Molecular Weight2156.73 g/mol
Exact Mass2154.69
IUPAC Name9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
SMILESCc1c(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc(-c2cccc3ccccc23)c2sc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc(-c4ccccc4)c(C)c3c12.c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-c5cc(-c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)cc(-n7c8ccccc8c8ccccc87)c6)cc(-n6c7ccccc7c7ccccc76)c5)cc34)cccc12
InChIInChI=1S/C84H48N2O2S2.C72H50N2S/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70;1-43-59(46-18-7-5-8-19-46)40-63(55-34-33-51(52-25-13-14-26-54(52)55)48-30-32-57-56-27-15-16-29-64(56)72(3,4)65(57)39-48)71-68(43)69-44(2)60(41-62(70(69)75-71)53-28-17-21-45-20-11-12-24-50(45)53)47-31-35-66-61(38-47)58-36-37-73-42-67(58)74(66)49-22-9-6-10-23-49/h1-48H;5-42H,1-4H3
InChIKeyJNSAOZGIINNUKH-UHFFFAOYSA-N
XLogP44.86
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002156.73
LogP ≤ 544.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole with MolForge

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Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
1-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;1-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-1-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-1-yl)phosphoryl]dibenzothiophene;2-[1,10-phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-1-ylphosphoryl]carbazole;2-pyridin-2-yl-6-[(2-pyridin-2-yl-4-pyridinyl)-triphenylen-1-ylphosphoryl]pyridine;2-[pyridin-2-yl(triphenylen-1-yl)phosphoryl]pyridine
CID 157288269
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
CID 159961606
CID 159961606
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-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;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
6-Tert-butyl-9-(3,5-dimethylphenyl)-23,23-dimethyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17,19,21,25,27-tetradecaene;27-(3-tert-butylphenyl)-17,17-dimethyl-7-propan-2-yl-3-oxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene;19-methyl-23-(3-methylphenyl)-9-[3-(trifluoromethyl)phenyl]-4,9,23-triazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 162185934
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
9-(6-Dibenzofuran-2-yl-9,9-dimethylfluoren-3-yl)pyrido[3,4-b]indole
CID 57544178
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole (CID 158970145) is 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole is Cc1c(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc(-c2cccc3ccccc23)c2sc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc(-c4ccccc4)c(C)c3c12.c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-c5cc(-c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)cc(-n7c8ccccc8c8ccccc87)c6)cc(-n6c7ccccc7c7ccccc76)c5)cc34)cccc12.
What is the InChIKey of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
The InChIKey is JNSAOZGIINNUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N2O2S2.C72H50N2S/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70;1-43-59(46-18-7-5-8-19-46)40-63(55-34-33-51(52-25-13-14-26-54(52)55)48-30-32-57-56-27-15-16-29-64(56)72(3,4)65(57)39-48)71-68(43)69-44(2)60(41-62(70(69)75-71)53-28-17-21-45-20-11-12-24-50(45)53)47-31-35-66-61(38-47)58-36-37-73-42-67(58)74(66)49-22-9-6-10-23-49/h1-48H;5-42H,1-4H3.
What are the key properties of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole has a molecular weight of 2156.73 g/mol, XLogP of 44.86, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole;6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 158970145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).