N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline

C42H38N2 — CID 155307171

IUPACN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(C3C=CC(C4C=CC(N(c5ccccc5)c5ccccc5)=CC4)=CC3)cc2)C=C1
InChIInChI=1S/C42H38N2/c1-5-13-37(14-6-1)43(38-15-7-2-8-16-38)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)44(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-19,21-23,25,27-32,34-35,40H,20,24,26H2
InChIKeyMNDGPEJMKYFTMT-UHFFFAOYSA-N
MW570.78 g/mol
LogP10.98
Rot. Bonds8

About N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline

N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline (PubChem CID 155307171) has the molecular formula C42H38N2 and a molecular weight of 570.78 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
PubChem CID155307171
Molecular FormulaC42H38N2
Molecular Weight570.78 g/mol
Exact Mass570.30
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(C3C=CC(C4C=CC(N(c5ccccc5)c5ccccc5)=CC4)=CC3)cc2)C=C1
InChIInChI=1S/C42H38N2/c1-5-13-37(14-6-1)43(38-15-7-2-8-16-38)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)44(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-19,21-23,25,27-32,34-35,40H,20,24,26H2
InChIKeyMNDGPEJMKYFTMT-UHFFFAOYSA-N
XLogP10.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline (CID 155307171) is N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline is C1=CCC(N(c2ccccc2)c2ccc(C3C=CC(C4C=CC(N(c5ccccc5)c5ccccc5)=CC4)=CC3)cc2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is MNDGPEJMKYFTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2/c1-5-13-37(14-6-1)43(38-15-7-2-8-16-38)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)44(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-19,21-23,25,27-32,34-35,40H,20,24,26H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline?
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 570.78 g/mol, XLogP of 10.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 155307171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).