N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline

C45H44N2 — CID 171416139

IUPACN,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline
SMILESCC(C)C1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H44N2/c1-35(2)44-25-15-16-34-45(44,36-26-30-42(31-27-36)46(38-17-7-3-8-18-38)39-19-9-4-10-20-39)37-28-32-43(33-29-37)47(40-21-11-5-12-22-40)41-23-13-6-14-24-41/h3-14,17-24,26-33,35,44H,15-16,25,34H2,1-2H3
InChIKeyWOKFVWBGYXSLGA-UHFFFAOYSA-N
MW612.86 g/mol
LogP12.76
Rot. Bonds9

About N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline

N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline (PubChem CID 171416139) has the molecular formula C45H44N2 and a molecular weight of 612.86 g/mol. Its IUPAC name is N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline
PubChem CID171416139
Molecular FormulaC45H44N2
Molecular Weight612.86 g/mol
Exact Mass612.35
IUPAC NameN,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline
SMILESCC(C)C1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H44N2/c1-35(2)44-25-15-16-34-45(44,36-26-30-42(31-27-36)46(38-17-7-3-8-18-38)39-19-9-4-10-20-39)37-28-32-43(33-29-37)47(40-21-11-5-12-22-40)41-23-13-6-14-24-41/h3-14,17-24,26-33,35,44H,15-16,25,34H2,1-2H3
InChIKeyWOKFVWBGYXSLGA-UHFFFAOYSA-N
XLogP12.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.86
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[1-[4-[phenyl-(2-phenylphenyl)methyl]phenyl]-2-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
CID 171416112
4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 168810453
4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
CID 171416310
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
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
CID 171416145
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171416383
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
CID 171416190
4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline
CID 171416397
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171416263
N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine
CID 171416386

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline?
The IUPAC name of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline (CID 171416139) is N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline is CC(C)C1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline?
The InChIKey is WOKFVWBGYXSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N2/c1-35(2)44-25-15-16-34-45(44,36-26-30-42(31-27-36)46(38-17-7-3-8-18-38)39-19-9-4-10-20-39)37-28-32-43(33-29-37)47(40-21-11-5-12-22-40)41-23-13-6-14-24-41/h3-14,17-24,26-33,35,44H,15-16,25,34H2,1-2H3.
What are the key properties of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline?
N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline has a molecular weight of 612.86 g/mol, XLogP of 12.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline is sourced from PubChem (CID 171416139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).