3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile

C176H108N14S — CID 162259870

IUPAC3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc43)c2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccncc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C49H29N3S.C48H30N4.C43H27N3.C36H22N4/c1-50-34-21-23-36(24-22-34)52-44-16-7-5-12-38(44)41-28-31(18-25-45(41)52)32-19-26-46-42(29-32)43-30-33(20-27-47(43)51(46)35-10-3-2-4-11-35)37-14-9-15-40-39-13-6-8-17-48(39)53-49(37)40;49-30-32-10-9-13-34(24-32)38-25-37(33-11-3-1-4-12-33)26-40(27-38)52-45-17-8-7-16-41(45)43-28-35(19-21-47(43)52)36-18-20-46-44(29-36)42-22-23-50-31-48(42)51(46)39-14-5-2-6-15-39;1-44-33-19-21-35(22-20-33)46-40-15-9-8-14-36(40)37-27-31(17-24-41(37)46)32-18-25-43-39(28-32)38-26-30(29-10-4-2-5-11-29)16-23-42(38)45(43)34-12-6-3-7-13-34;1-37-26-13-15-28(16-14-26)40-35-18-12-25(22-32(35)30-19-20-38-23-36(30)40)24-11-17-34-31(21-24)29-9-5-6-10-33(29)39(34)27-7-3-2-4-8-27/h2-30H;1-29,31H;2-28H;2-23H
InChIKeyZZCCDNHMXWAXKU-UHFFFAOYSA-N
MW2450.96 g/mol
LogP47.54
Rot. Bonds16

About 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile

3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 162259870) has the molecular formula C176H108N14S and a molecular weight of 2450.96 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile
PubChem CID162259870
Molecular FormulaC176H108N14S
Molecular Weight2450.96 g/mol
Exact Mass2448.86
IUPAC Name3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc43)c2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccncc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C49H29N3S.C48H30N4.C43H27N3.C36H22N4/c1-50-34-21-23-36(24-22-34)52-44-16-7-5-12-38(44)41-28-31(18-25-45(41)52)32-19-26-46-42(29-32)43-30-33(20-27-47(43)51(46)35-10-3-2-4-11-35)37-14-9-15-40-39-13-6-8-17-48(39)53-49(37)40;49-30-32-10-9-13-34(24-32)38-25-37(33-11-3-1-4-12-33)26-40(27-38)52-45-17-8-7-16-41(45)43-28-35(19-21-47(43)52)36-18-20-46-44(29-36)42-22-23-50-31-48(42)51(46)39-14-5-2-6-15-39;1-44-33-19-21-35(22-20-33)46-40-15-9-8-14-36(40)37-27-31(17-24-41(37)46)32-18-25-43-39(28-32)38-26-30(29-10-4-2-5-11-29)16-23-42(38)45(43)34-12-6-3-7-13-34;1-37-26-13-15-28(16-14-26)40-35-18-12-25(22-32(35)30-19-20-38-23-36(30)40)24-11-17-34-31(21-24)29-9-5-6-10-33(29)39(34)27-7-3-2-4-8-27/h2-30H;1-29,31H;2-28H;2-23H
InChIKeyZZCCDNHMXWAXKU-UHFFFAOYSA-N
XLogP47.54
TPSA102.09 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.96
LogP ≤ 547.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile with MolForge

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Related Compounds

9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 161070419
3-[4-[3-(3-dibenzothiophen-4-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 130231244
3-[4-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;6-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 159388759
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-isocyanophenyl)carbazole;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4-triphenylen-2-yldibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 160933507
9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 161234795
3-[9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155628088
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-dibenzothiophen-4-ylcarbazole;3-carbazol-9-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole;9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 158659848
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile (CID 162259870) is 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc43)c2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccncc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is ZZCCDNHMXWAXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3S.C48H30N4.C43H27N3.C36H22N4/c1-50-34-21-23-36(24-22-34)52-44-16-7-5-12-38(44)41-28-31(18-25-45(41)52)32-19-26-46-42(29-32)43-30-33(20-27-47(43)51(46)35-10-3-2-4-11-35)37-14-9-15-40-39-13-6-8-17-48(39)53-49(37)40;49-30-32-10-9-13-34(24-32)38-25-37(33-11-3-1-4-12-33)26-40(27-38)52-45-17-8-7-16-41(45)43-28-35(19-21-47(43)52)36-18-20-46-44(29-36)42-22-23-50-31-48(42)51(46)39-14-5-2-6-15-39;1-44-33-19-21-35(22-20-33)46-40-15-9-8-14-36(40)37-27-31(17-24-41(37)46)32-18-25-43-39(28-32)38-26-30(29-10-4-2-5-11-29)16-23-42(38)45(43)34-12-6-3-7-13-34;1-37-26-13-15-28(16-14-26)40-35-18-12-25(22-32(35)30-19-20-38-23-36(30)40)24-11-17-34-31(21-24)29-9-5-6-10-33(29)39(34)27-7-3-2-4-8-27/h2-30H;1-29,31H;2-28H;2-23H.
What are the key properties of 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile?
3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 2450.96 g/mol, XLogP of 47.54, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 162259870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).