N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine

C59H53N3 — CID 168810687

IUPACN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CCCC3)cc2)cc1
InChIInChI=1S/C59H53N3/c1-5-17-44(18-6-1)45-27-33-51(34-28-45)60(48-19-7-2-8-20-48)52-35-29-46(30-36-52)59(41-15-16-42-59)47-31-37-53(38-32-47)61(49-21-9-3-10-22-49)54-39-40-58-56(43-54)55-25-13-14-26-57(55)62(58)50-23-11-4-12-24-50/h2-4,7-14,19-40,43-44H,1,5-6,15-18,41-42H2
InChIKeySWUVWCWLCQYXSU-UHFFFAOYSA-N
MW804.09 g/mol
LogP16.63
Rot. Bonds10

About N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 168810687) has the molecular formula C59H53N3 and a molecular weight of 804.09 g/mol. Its IUPAC name is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID168810687
Molecular FormulaC59H53N3
Molecular Weight804.09 g/mol
Exact Mass803.42
IUPAC NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CCCC3)cc2)cc1
InChIInChI=1S/C59H53N3/c1-5-17-44(18-6-1)45-27-33-51(34-28-45)60(48-19-7-2-8-20-48)52-35-29-46(30-36-52)59(41-15-16-42-59)47-31-37-53(38-32-47)61(49-21-9-3-10-22-49)54-39-40-58-56(43-54)55-25-13-14-26-57(55)62(58)50-23-11-4-12-24-50/h2-4,7-14,19-40,43-44H,1,5-6,15-18,41-42H2
InChIKeySWUVWCWLCQYXSU-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

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Related Compounds

N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163606213
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780015
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
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 177275872
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 168810687) is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CCCC3)cc2)cc1.
What is the InChIKey of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is SWUVWCWLCQYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53N3/c1-5-17-44(18-6-1)45-27-33-51(34-28-45)60(48-19-7-2-8-20-48)52-35-29-46(30-36-52)59(41-15-16-42-59)47-31-37-53(38-32-47)61(49-21-9-3-10-22-49)54-39-40-58-56(43-54)55-25-13-14-26-57(55)62(58)50-23-11-4-12-24-50/h2-4,7-14,19-40,43-44H,1,5-6,15-18,41-42H2.
What are the key properties of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-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-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 168810687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).