5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine

C33H30N2O — CID 164786812

IUPAC5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
SMILESCOc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2C)c2ccccc2C)c1
InChIInChI=1S/C33H30N2O/c1-25-14-10-12-20-32(25)35(33-21-13-11-15-26(33)2)30-22-29(23-31(24-30)36-3)34(27-16-6-4-7-17-27)28-18-8-5-9-19-28/h4-24H,1-3H3
InChIKeyFQIINAKFAMGICW-UHFFFAOYSA-N
MW470.62 g/mol
LogP9.25
Rot. Bonds7

About 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine

5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine (PubChem CID 164786812) has the molecular formula C33H30N2O and a molecular weight of 470.62 g/mol. Its IUPAC name is 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
PubChem CID164786812
Molecular FormulaC33H30N2O
Molecular Weight470.62 g/mol
Exact Mass470.24
IUPAC Name5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
SMILESCOc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2C)c2ccccc2C)c1
InChIInChI=1S/C33H30N2O/c1-25-14-10-12-20-32(25)35(33-21-13-11-15-26(33)2)30-22-29(23-31(24-30)36-3)34(27-16-6-4-7-17-27)28-18-8-5-9-19-28/h4-24H,1-3H3
InChIKeyFQIINAKFAMGICW-UHFFFAOYSA-N
XLogP9.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
2-N,3-N,4-N-tris(2-methylphenyl)-1-N,1-N,2-N,3-N,4-N-pentakis-phenylbenzene-1,2,3,4-tetramine
CID 69050247
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665522
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N-[4-[4-[4-(N-(3,5-dimethylphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;2-methoxy-N-[4-[4-[4-(4-methoxy-N-(2-methoxy-5-methylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-N-(4-methoxy-2-methylphenyl)-5-methylaniline;2-methoxy-N-[4-[4-[4-(N-(2-methoxy-5-methylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-5-methyl-N-(2-methylphenyl)aniline;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161351986
2-methyl-1-N,3-N-bis[2-methyl-5-(N-phenylanilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 170274288
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine (CID 164786812) is 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine is COc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2C)c2ccccc2C)c1.
What is the InChIKey of 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine?
The InChIKey is FQIINAKFAMGICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O/c1-25-14-10-12-20-32(25)35(33-21-13-11-15-26(33)2)30-22-29(23-31(24-30)36-3)34(27-16-6-4-7-17-27)28-18-8-5-9-19-28/h4-24H,1-3H3.
What are the key properties of 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine?
5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine has a molecular weight of 470.62 g/mol, XLogP of 9.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 164786812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).