1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine

C58H50N4O4 — CID 132507926

IUPAC1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H50N4O4/c1-63-55-35-27-51(28-36-55)61(52-29-37-56(64-2)38-30-52)49-23-19-47(20-24-49)59(43-11-7-5-8-12-43)45-15-17-46(18-16-45)60(44-13-9-6-10-14-44)48-21-25-50(26-22-48)62(53-31-39-57(65-3)40-32-53)54-33-41-58(66-4)42-34-54/h5-42H,1-4H3
InChIKeyCXUWGGFZRCJRJT-UHFFFAOYSA-N
MW867.06 g/mol
LogP15.60
Rot. Bonds16

About 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine

1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 132507926) has the molecular formula C58H50N4O4 and a molecular weight of 867.06 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID132507926
Molecular FormulaC58H50N4O4
Molecular Weight867.06 g/mol
Exact Mass866.38
IUPAC Name1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H50N4O4/c1-63-55-35-27-51(28-36-55)61(52-29-37-56(64-2)38-30-52)49-23-19-47(20-24-49)59(43-11-7-5-8-12-43)45-15-17-46(18-16-45)60(44-13-9-6-10-14-44)48-21-25-50(26-22-48)62(53-31-39-57(65-3)40-32-53)54-33-41-58(66-4)42-34-54/h5-42H,1-4H3
InChIKeyCXUWGGFZRCJRJT-UHFFFAOYSA-N
XLogP15.60
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-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

4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine (CID 132507926) is 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is CXUWGGFZRCJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N4O4/c1-63-55-35-27-51(28-36-55)61(52-29-37-56(64-2)38-30-52)49-23-19-47(20-24-49)59(43-11-7-5-8-12-43)45-15-17-46(18-16-45)60(44-13-9-6-10-14-44)48-21-25-50(26-22-48)62(53-31-39-57(65-3)40-32-53)54-33-41-58(66-4)42-34-54/h5-42H,1-4H3.
What are the key properties of 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 867.06 g/mol, XLogP of 15.60, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 132507926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).