4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline

C30H28N2 — CID 139419428

IUPAC4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3C3CC3)c(C3CC3)c2)cc1
InChIInChI=1S/C30H28N2/c1-3-7-23(8-4-1)31-25-15-17-27(29(19-25)21-11-12-21)28-18-16-26(20-30(28)22-13-14-22)32-24-9-5-2-6-10-24/h1-10,15-22,31-32H,11-14H2
InChIKeyWOLFYJXDBZQIOY-UHFFFAOYSA-N
MW416.57 g/mol
LogP8.60
Rot. Bonds7

About 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline

4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline (PubChem CID 139419428) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline.

Molecular Properties

Compound Name4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline
PubChem CID139419428
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3C3CC3)c(C3CC3)c2)cc1
InChIInChI=1S/C30H28N2/c1-3-7-23(8-4-1)31-25-15-17-27(29(19-25)21-11-12-21)28-18-16-26(20-30(28)22-13-14-22)32-24-9-5-2-6-10-24/h1-10,15-22,31-32H,11-14H2
InChIKeyWOLFYJXDBZQIOY-UHFFFAOYSA-N
XLogP8.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672316
azane;N-phenylaniline
CID 67074378
4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130257356
4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
CID 130257526
CID 175904297
CID 175904297
N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
CID 167288875
N-[2-(2-cyclobutylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124830
N-phenylfluoranthen-8-amine
CID 12546982
hydrazine;N-phenylaniline
CID 159755629
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline?
The IUPAC name of 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline (CID 139419428) is 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline.
What is the SMILES notation for 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline?
The canonical SMILES for 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline is c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3C3CC3)c(C3CC3)c2)cc1.
What is the InChIKey of 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline?
The InChIKey is WOLFYJXDBZQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-3-7-23(8-4-1)31-25-15-17-27(29(19-25)21-11-12-21)28-18-16-26(20-30(28)22-13-14-22)32-24-9-5-2-6-10-24/h1-10,15-22,31-32H,11-14H2.
What are the key properties of 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline?
4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline has a molecular weight of 416.57 g/mol, XLogP of 8.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilino-2-cyclopropylphenyl)-3-cyclopropyl-N-phenylaniline is sourced from PubChem (CID 139419428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).