3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile

C160H98N18S — CID 158581163

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
SMILES[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C52H38N2.C48H34N2.C42H26N2S.C18N12/c1-4-13-39(14-5-1)41-23-31-47(32-24-41)53(48-33-25-42(26-34-48)40-15-6-2-7-16-40)49-35-27-43(28-36-49)44-29-37-50(38-30-44)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52;1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-48-46(34-40)45-18-10-11-19-47(45)50(48)41-16-8-3-9-17-41;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;1-22-16-9(6-21)27-12-10-11(26-8(5-20)7(4-19)25-10)14-15(13(12)28-16)30-18(24-3)17(23-2)29-14/h1-38H;1-34H;1-26H;
InChIKeyHTGOMLZLSSAWDE-UHFFFAOYSA-N
MW2304.74 g/mol
LogP42.73
Rot. Bonds19

About 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile (PubChem CID 158581163) has the molecular formula C160H98N18S and a molecular weight of 2304.74 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
PubChem CID158581163
Molecular FormulaC160H98N18S
Molecular Weight2304.74 g/mol
Exact Mass2302.79
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
SMILES[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C52H38N2.C48H34N2.C42H26N2S.C18N12/c1-4-13-39(14-5-1)41-23-31-47(32-24-41)53(48-33-25-42(26-34-48)40-15-6-2-7-16-40)49-35-27-43(28-36-49)44-29-37-50(38-30-44)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52;1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-48-46(34-40)45-18-10-11-19-47(45)50(48)41-16-8-3-9-17-41;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;1-22-16-9(6-21)27-12-10-11(26-8(5-20)7(4-19)25-10)14-15(13(12)28-16)30-18(24-3)17(23-2)29-14/h1-38H;1-34H;1-26H;
InChIKeyHTGOMLZLSSAWDE-UHFFFAOYSA-N
XLogP42.73
TPSA186.30 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.74
LogP ≤ 542.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile with MolForge

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Related Compounds

16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 160955746
CID 158554685
CID 158554685
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
CID 158547769
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene
CID 158933461
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-phenylisoquinoline;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
CID 161407286
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 159041351
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile (CID 158581163) is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile is [C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
The InChIKey is HTGOMLZLSSAWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2.C48H34N2.C42H26N2S.C18N12/c1-4-13-39(14-5-1)41-23-31-47(32-24-41)53(48-33-25-42(26-34-48)40-15-6-2-7-16-40)49-35-27-43(28-36-49)44-29-37-50(38-30-44)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52;1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-48-46(34-40)45-18-10-11-19-47(45)50(48)41-16-8-3-9-17-41;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;1-22-16-9(6-21)27-12-10-11(26-8(5-20)7(4-19)25-10)14-15(13(12)28-16)30-18(24-3)17(23-2)29-14/h1-38H;1-34H;1-26H;.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile has a molecular weight of 2304.74 g/mol, XLogP of 42.73, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile is sourced from PubChem (CID 158581163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).