2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline

C90H60N4 — CID 58251538

IUPAC2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C90H60N4/c1-10-28-82(73(19-1)67-43-37-61(38-44-67)64-49-55-70(56-50-64)91-85-31-13-4-22-76(85)77-23-5-14-32-86(77)91)94(83-29-11-2-20-74(83)68-45-39-62(40-46-68)65-51-57-71(58-52-65)92-87-33-15-6-24-78(87)79-25-7-16-34-88(79)92)84-30-12-3-21-75(84)69-47-41-63(42-48-69)66-53-59-72(60-54-66)93-89-35-17-8-26-80(89)81-27-9-18-36-90(81)93/h1-60H
InChIKeyIRYKMPOGIGKTDU-UHFFFAOYSA-N
MW1197.50 g/mol
LogP24.45
Rot. Bonds12

About 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline

2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline (PubChem CID 58251538) has the molecular formula C90H60N4 and a molecular weight of 1197.50 g/mol. Its IUPAC name is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline
PubChem CID58251538
Molecular FormulaC90H60N4
Molecular Weight1197.50 g/mol
Exact Mass1196.48
IUPAC Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C90H60N4/c1-10-28-82(73(19-1)67-43-37-61(38-44-67)64-49-55-70(56-50-64)91-85-31-13-4-22-76(85)77-23-5-14-32-86(77)91)94(83-29-11-2-20-74(83)68-45-39-62(40-46-68)65-51-57-71(58-52-65)92-87-33-15-6-24-78(87)79-25-7-16-34-88(79)92)84-30-12-3-21-75(84)69-47-41-63(42-48-69)66-53-59-72(60-54-66)93-89-35-17-8-26-80(89)81-27-9-18-36-90(81)93/h1-60H
InChIKeyIRYKMPOGIGKTDU-UHFFFAOYSA-N
XLogP24.45
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.50
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline (CID 58251538) is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline is c1ccc(N(c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1.
What is the InChIKey of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline?
The InChIKey is IRYKMPOGIGKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N4/c1-10-28-82(73(19-1)67-43-37-61(38-44-67)64-49-55-70(56-50-64)91-85-31-13-4-22-76(85)77-23-5-14-32-86(77)91)94(83-29-11-2-20-74(83)68-45-39-62(40-46-68)65-51-57-71(58-52-65)92-87-33-15-6-24-78(87)79-25-7-16-34-88(79)92)84-30-12-3-21-75(84)69-47-41-63(42-48-69)66-53-59-72(60-54-66)93-89-35-17-8-26-80(89)81-27-9-18-36-90(81)93/h1-60H.
What are the key properties of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline?
2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline has a molecular weight of 1197.50 g/mol, XLogP of 24.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 58251538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).