4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline

C39H36N4 — CID 122424762

IUPAC4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline
SMILESCNCc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C39H36N4/c1-40-28-29-14-16-31(17-15-29)38-26-33(27-39(41-38)32-20-22-34(23-21-32)42(2)3)30-18-24-37(25-19-30)43(35-10-6-4-7-11-35)36-12-8-5-9-13-36/h4-27,40H,28H2,1-3H3
InChIKeyABDAPEYKUWJRRV-UHFFFAOYSA-N
MW560.75 g/mol
LogP9.34
Rot. Bonds9

About 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline

4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline (PubChem CID 122424762) has the molecular formula C39H36N4 and a molecular weight of 560.75 g/mol. Its IUPAC name is 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline
PubChem CID122424762
Molecular FormulaC39H36N4
Molecular Weight560.75 g/mol
Exact Mass560.29
IUPAC Name4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline
SMILESCNCc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C39H36N4/c1-40-28-29-14-16-31(17-15-29)38-26-33(27-39(41-38)32-20-22-34(23-21-32)42(2)3)30-18-24-37(25-19-30)43(35-10-6-4-7-11-35)36-12-8-5-9-13-36/h4-27,40H,28H2,1-3H3
InChIKeyABDAPEYKUWJRRV-UHFFFAOYSA-N
XLogP9.34
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 59.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline with MolForge

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Related Compounds

Methylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 10481357
Ethylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 11191634
Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
AMD-3329 free base
CID 477104
4-ethyl-N-[[6-[(4-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578413
N-acridin-9-yl-N'-[3-(acridin-9-ylamino)propyl]-N'-methylpropane-1,3-diamine
CID 431155
N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butane-1,4-diamine
CID 24863097
N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butane-1,4-diamine
CID 24879377
N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 46937311
N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
CID 71461841
8,8'-[1,4-Phenylenebis(methylene)]bis[4,8,12,19-tetraazabicyclo[13.3.1]nonadeca-1(19),15,17-triene]
CID 477105
1,2-Dimethyl-4,6-bis(4-methylphenyl)pyridin-1-ium
CID 3092033

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline (CID 122424762) is 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline is CNCc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline?
The InChIKey is ABDAPEYKUWJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N4/c1-40-28-29-14-16-31(17-15-29)38-26-33(27-39(41-38)32-20-22-34(23-21-32)42(2)3)30-18-24-37(25-19-30)43(35-10-6-4-7-11-35)36-12-8-5-9-13-36/h4-27,40H,28H2,1-3H3.
What are the key properties of 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline?
4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline has a molecular weight of 560.75 g/mol, XLogP of 9.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline is sourced from PubChem (CID 122424762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).