N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine

C59H53N3 — CID 168810665

IUPACN-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)CCCC3)cc2)cc1
InChIInChI=1S/C59H53N3/c1-5-17-44(18-6-1)45-27-33-51(34-28-45)61(54-39-40-56-55-25-13-14-26-57(55)62(58(56)43-54)50-23-11-4-12-24-50)53-37-31-47(32-38-53)59(41-15-16-42-59)46-29-35-52(36-30-46)60(48-19-7-2-8-20-48)49-21-9-3-10-22-49/h2-4,7-14,19-40,43-44H,1,5-6,15-18,41-42H2
InChIKeyQUDMBIJFZGXTJU-UHFFFAOYSA-N
MW804.09 g/mol
LogP16.63
Rot. Bonds10

About N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine

N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine (PubChem CID 168810665) has the molecular formula C59H53N3 and a molecular weight of 804.09 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
PubChem CID168810665
Molecular FormulaC59H53N3
Molecular Weight804.09 g/mol
Exact Mass803.42
IUPAC NameN-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)CCCC3)cc2)cc1
InChIInChI=1S/C59H53N3/c1-5-17-44(18-6-1)45-27-33-51(34-28-45)61(54-39-40-56-55-25-13-14-26-57(55)62(58(56)43-54)50-23-11-4-12-24-50)53-37-31-47(32-38-53)59(41-15-16-42-59)46-29-35-52(36-30-46)60(48-19-7-2-8-20-48)49-21-9-3-10-22-49/h2-4,7-14,19-40,43-44H,1,5-6,15-18,41-42H2
InChIKeyQUDMBIJFZGXTJU-UHFFFAOYSA-N
XLogP16.63
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.09
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine with MolForge

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163606213
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976
4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163511732

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine (CID 168810665) is N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)CCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine?
The InChIKey is QUDMBIJFZGXTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53N3/c1-5-17-44(18-6-1)45-27-33-51(34-28-45)61(54-39-40-56-55-25-13-14-26-57(55)62(58(56)43-54)50-23-11-4-12-24-50)53-37-31-47(32-38-53)59(41-15-16-42-59)46-29-35-52(36-30-46)60(48-19-7-2-8-20-48)49-21-9-3-10-22-49/h2-4,7-14,19-40,43-44H,1,5-6,15-18,41-42H2.
What are the key properties of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine?
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine has a molecular weight of 804.09 g/mol, XLogP of 16.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine is sourced from PubChem (CID 168810665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).