4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline

C38H32N2 — CID 146637405

IUPAC4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1ccc(N)c(-c2ccccc2)c1)c1ccc(N)c(-c2ccccc2)c1
InChIInChI=1S/C38H32N2/c1-38(31-19-17-28(18-20-31)27-11-5-2-6-12-27,32-21-23-36(39)34(25-32)29-13-7-3-8-14-29)33-22-24-37(40)35(26-33)30-15-9-4-10-16-30/h2-26H,39-40H2,1H3
InChIKeyVPLCQCHBMDEJTQ-UHFFFAOYSA-N
MW516.69 g/mol
LogP9.21
Rot. Bonds6

About 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline

4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline (PubChem CID 146637405) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline
PubChem CID146637405
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1ccc(N)c(-c2ccccc2)c1)c1ccc(N)c(-c2ccccc2)c1
InChIInChI=1S/C38H32N2/c1-38(31-19-17-28(18-20-31)27-11-5-2-6-12-27,32-21-23-36(39)34(25-32)29-13-7-3-8-14-29)33-22-24-37(40)35(26-33)30-15-9-4-10-16-30/h2-26H,39-40H2,1H3
InChIKeyVPLCQCHBMDEJTQ-UHFFFAOYSA-N
XLogP9.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
CID 52936811
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
4-tert-butyl-2-(3-tert-butylphenyl)aniline
CID 66813837
[4-[1-[4-(2-methylprop-2-enoyloxy)-3-phenylphenyl]-1-(4-phenylphenyl)ethyl]-2-phenylphenyl] 2-methylprop-2-enoate
CID 135225860
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
4-amino-3-(4-tert-butylphenyl)benzoic acid
CID 82305590
4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline
CID 146637457
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
(E)-4-[4-[1-[4-[[(E)-3-carboxyprop-2-enoyl]amino]-3-phenylphenyl]-1-(4-phenylphenyl)ethyl]-2-phenylanilino]-4-oxobut-2-enoic acid
CID 155460071

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline?
The IUPAC name of 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline (CID 146637405) is 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline.
What is the SMILES notation for 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline?
The canonical SMILES for 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline is CC(c1ccc(-c2ccccc2)cc1)(c1ccc(N)c(-c2ccccc2)c1)c1ccc(N)c(-c2ccccc2)c1.
What is the InChIKey of 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline?
The InChIKey is VPLCQCHBMDEJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-38(31-19-17-28(18-20-31)27-11-5-2-6-12-27,32-21-23-36(39)34(25-32)29-13-7-3-8-14-29)33-22-24-37(40)35(26-33)30-15-9-4-10-16-30/h2-26H,39-40H2,1H3.
What are the key properties of 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline?
4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline has a molecular weight of 516.69 g/mol, XLogP of 9.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline is sourced from PubChem (CID 146637405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).