4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline

C24H22N2 — CID 70010989

IUPAC4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C24H22N2/c25-22-10-6-20(7-11-22)24(21-8-12-23(26)13-9-21)16-14-19(15-17-24)18-4-2-1-3-5-18/h1-16H,17,25-26H2
InChIKeyCLOSIBMLQGWHEI-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.18
Rot. Bonds3

About 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline

4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline (PubChem CID 70010989) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline
PubChem CID70010989
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C24H22N2/c25-22-10-6-20(7-11-22)24(21-8-12-23(26)13-9-21)16-14-19(15-17-24)18-4-2-1-3-5-18/h1-16H,17,25-26H2
InChIKeyCLOSIBMLQGWHEI-UHFFFAOYSA-N
XLogP5.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.18
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'}

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Related Compounds

4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
CID 97303996
4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
CID 66911320
4-(4-amino-4-phenoxycyclohexa-1,5-dien-1-yl)aniline
CID 152565245
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline;hydrochloride
CID 172857422
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
CID 172735714
CID 172735714
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol
CID 139831884
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
1-amino-4-phenylcyclohexa-2,4-diene-1-sulfonic acid
CID 87891223
disodium;4-phenylcyclohexa-2,4-diene-1,1-disulfonate
CID 87814814

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline (CID 70010989) is 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline is Nc1ccc(C2(c3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is CLOSIBMLQGWHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c25-22-10-6-20(7-11-22)24(21-8-12-23(26)13-9-21)16-14-19(15-17-24)18-4-2-1-3-5-18/h1-16H,17,25-26H2.
What are the key properties of 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline?
4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 338.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 70010989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).