3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine

C42H33N7 — CID 155316648

IUPAC3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine
SMILES[H]/N=C1\C=CC=C\C1=N\Nc1cccc(N(c2cccc(N/N=C3/C=CC=C/C3=N\[H])c2)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C42H33N7/c43-39-21-7-9-23-41(39)47-45-32-17-11-19-34(27-32)49(35-20-12-18-33(28-35)46-48-42-24-10-8-22-40(42)44)36-25-26-37(30-13-3-1-4-14-30)38(29-36)31-15-5-2-6-16-31/h1-29,43-46H/b43-39+,44-40+,47-41-,48-42-
InChIKeyJDLCEPQZQZAVHO-GKRPRAMCSA-N
MW635.78 g/mol
LogP10.32
Rot. Bonds9

About 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine

3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine (PubChem CID 155316648) has the molecular formula C42H33N7 and a molecular weight of 635.78 g/mol. Its IUPAC name is 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine
PubChem CID155316648
Molecular FormulaC42H33N7
Molecular Weight635.78 g/mol
Exact Mass635.28
IUPAC Name3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine
SMILES[H]/N=C1\C=CC=C\C1=N\Nc1cccc(N(c2cccc(N/N=C3/C=CC=C/C3=N\[H])c2)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C42H33N7/c43-39-21-7-9-23-41(39)47-45-32-17-11-19-34(27-32)49(35-20-12-18-33(28-35)46-48-42-24-10-8-22-40(42)44)36-25-26-37(30-13-3-1-4-14-30)38(29-36)31-15-5-2-6-16-31/h1-29,43-46H/b43-39+,44-40+,47-41-,48-42-
InChIKeyJDLCEPQZQZAVHO-GKRPRAMCSA-N
XLogP10.32
TPSA99.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.78
LogP ≤ 510.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine 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

N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
CID 66649452
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
N,N-bis(3-phenanthren-9-ylphenyl)-3,4-diphenylaniline
CID 142614676
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine (CID 155316648) is 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine is [H]/N=C1\C=CC=C\C1=N\Nc1cccc(N(c2cccc(N/N=C3/C=CC=C/C3=N\[H])c2)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c1.
What is the InChIKey of 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine?
The InChIKey is JDLCEPQZQZAVHO-GKRPRAMCSA-N. The full InChI is InChI=1S/C42H33N7/c43-39-21-7-9-23-41(39)47-45-32-17-11-19-34(27-32)49(35-20-12-18-33(28-35)46-48-42-24-10-8-22-40(42)44)36-25-26-37(30-13-3-1-4-14-30)38(29-36)31-15-5-2-6-16-31/h1-29,43-46H/b43-39+,44-40+,47-41-,48-42-.
What are the key properties of 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine?
3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine has a molecular weight of 635.78 g/mol, XLogP of 10.32, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-diphenylphenyl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 155316648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).