3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine

C171H116N14S3 — CID 158544695

IUPAC3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)s6)cc5c5cc(N(c6ccccc6)c6ccc(-c7ccccc7)s6)ccc54)cc3)s2)cc1.c1ccc(-n2c(-c3ccc(N(c4ccc(-n5c6ccc(N(c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c7cccc8ccccc78)cc6c6cc(N(c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c7cccc8ccccc78)ccc65)cc4)c4cccc5ccccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C105H70N10.C66H46N4S3/c1-4-31-77(32-5-1)113-100-43-19-16-40-92(100)106-103(113)74-49-55-80(56-50-74)109(95-46-22-28-71-25-10-13-37-87(71)95)83-61-63-84(64-62-83)112-98-67-65-85(110(96-47-23-29-72-26-11-14-38-88(72)96)81-57-51-75(52-58-81)104-107-93-41-17-20-44-101(93)114(104)78-33-6-2-7-34-78)69-90(98)91-70-86(66-68-99(91)112)111(97-48-24-30-73-27-12-15-39-89(73)97)82-59-53-76(54-60-82)105-108-94-42-18-21-45-102(94)115(105)79-35-8-3-9-36-79;1-7-19-47(20-8-1)61-39-42-64(71-61)67(50-25-13-4-14-26-50)53-31-33-54(34-32-53)70-59-37-35-55(68(51-27-15-5-16-28-51)65-43-40-62(72-65)48-21-9-2-10-22-48)45-57(59)58-46-56(36-38-60(58)70)69(52-29-17-6-18-30-52)66-44-41-63(73-66)49-23-11-3-12-24-49/h1-70H;1-46H
InChIKeyHOYUCTVDCHBEFK-UHFFFAOYSA-N
MW2463.11 g/mol
LogP48.05
Rot. Bonds29

About 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine

3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine (PubChem CID 158544695) has the molecular formula C171H116N14S3 and a molecular weight of 2463.11 g/mol. Its IUPAC name is 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine
PubChem CID158544695
Molecular FormulaC171H116N14S3
Molecular Weight2463.11 g/mol
Exact Mass2460.87
IUPAC Name3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)s6)cc5c5cc(N(c6ccccc6)c6ccc(-c7ccccc7)s6)ccc54)cc3)s2)cc1.c1ccc(-n2c(-c3ccc(N(c4ccc(-n5c6ccc(N(c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c7cccc8ccccc78)cc6c6cc(N(c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c7cccc8ccccc78)ccc65)cc4)c4cccc5ccccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C105H70N10.C66H46N4S3/c1-4-31-77(32-5-1)113-100-43-19-16-40-92(100)106-103(113)74-49-55-80(56-50-74)109(95-46-22-28-71-25-10-13-37-87(71)95)83-61-63-84(64-62-83)112-98-67-65-85(110(96-47-23-29-72-26-11-14-38-88(72)96)81-57-51-75(52-58-81)104-107-93-41-17-20-44-101(93)114(104)78-33-6-2-7-34-78)69-90(98)91-70-86(66-68-99(91)112)111(97-48-24-30-73-27-12-15-39-89(73)97)82-59-53-76(54-60-82)105-108-94-42-18-21-45-102(94)115(105)79-35-8-3-9-36-79;1-7-19-47(20-8-1)61-39-42-64(71-61)67(50-25-13-4-14-26-50)53-31-33-54(34-32-53)70-59-37-35-55(68(51-27-15-5-16-28-51)65-43-40-62(72-65)48-21-9-2-10-22-48)45-57(59)58-46-56(36-38-60(58)70)69(52-29-17-6-18-30-52)66-44-41-63(73-66)49-23-11-3-12-24-49/h1-70H;1-46H
InChIKeyHOYUCTVDCHBEFK-UHFFFAOYSA-N
XLogP48.05
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.11
LogP ≤ 548.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine with MolForge

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Related Compounds

N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
4-methyl-N,N-diphenylaniline;1-methyl-2-(4-methylphenyl)benzimidazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 160621708
3-N,6-N-bis[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-9-[4-(N-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]anilino)phenyl]-3-N,6-N-diphenylcarbazole-3,6-diamine;3-N,6-N-bis[5-(5-naphthalen-2-ylthiophen-2-yl)thiophen-2-yl]-9-[4-(N-[5-(5-naphthalen-2-ylthiophen-2-yl)thiophen-2-yl]anilino)phenyl]-3-N,6-N-diphenylcarbazole-3,6-diamine;3-N,6-N-dinaphthalen-1-yl-9-[4-[naphthalen-1-yl-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]amino]phenyl]-3-N,6-N-bis[5-(5-phenylthiophen-2-yl)thiophen-2-yl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(4-triphenylsilylphenyl)-9-[4-(N-(4-triphenylsilylphenyl)anilino)phenyl]carbazole-3,6-diamine
CID 158985676
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine
CID 10305547

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine (CID 158544695) is 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)s6)cc5c5cc(N(c6ccccc6)c6ccc(-c7ccccc7)s6)ccc54)cc3)s2)cc1.c1ccc(-n2c(-c3ccc(N(c4ccc(-n5c6ccc(N(c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c7cccc8ccccc78)cc6c6cc(N(c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c7cccc8ccccc78)ccc65)cc4)c4cccc5ccccc45)cc3)nc3ccccc32)cc1.
What is the InChIKey of 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine?
The InChIKey is HOYUCTVDCHBEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H70N10.C66H46N4S3/c1-4-31-77(32-5-1)113-100-43-19-16-40-92(100)106-103(113)74-49-55-80(56-50-74)109(95-46-22-28-71-25-10-13-37-87(71)95)83-61-63-84(64-62-83)112-98-67-65-85(110(96-47-23-29-72-26-11-14-38-88(72)96)81-57-51-75(52-58-81)104-107-93-41-17-20-44-101(93)114(104)78-33-6-2-7-34-78)69-90(98)91-70-86(66-68-99(91)112)111(97-48-24-30-73-27-12-15-39-89(73)97)82-59-53-76(54-60-82)105-108-94-42-18-21-45-102(94)115(105)79-35-8-3-9-36-79;1-7-19-47(20-8-1)61-39-42-64(71-61)67(50-25-13-4-14-26-50)53-31-33-54(34-32-53)70-59-37-35-55(68(51-27-15-5-16-28-51)65-43-40-62(72-65)48-21-9-2-10-22-48)45-57(59)58-46-56(36-38-60(58)70)69(52-29-17-6-18-30-52)66-44-41-63(73-66)49-23-11-3-12-24-49/h1-70H;1-46H.
What are the key properties of 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine?
3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine has a molecular weight of 2463.11 g/mol, XLogP of 48.05, 29 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 158544695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).