N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine

C45H41N5 — CID 23593086

IUPACN-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine
SMILESCc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5cccc(N(C)c6ccc(C)cc6C)n5)n4)n3)c3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C45H41N5/c1-30-16-20-35(21-17-30)36-22-24-37(25-23-36)50(43-27-19-32(3)29-34(43)5)45-15-9-13-41(48-45)39-11-7-10-38(46-39)40-12-8-14-44(47-40)49(6)42-26-18-31(2)28-33(42)4/h7-29H,1-6H3
InChIKeyBJFVWCZHZSBFQQ-UHFFFAOYSA-N
MW651.86 g/mol
LogP11.65
Rot. Bonds8

About N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine

N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine (PubChem CID 23593086) has the molecular formula C45H41N5 and a molecular weight of 651.86 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine
PubChem CID23593086
Molecular FormulaC45H41N5
Molecular Weight651.86 g/mol
Exact Mass651.34
IUPAC NameN-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine
SMILESCc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5cccc(N(C)c6ccc(C)cc6C)n5)n4)n3)c3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C45H41N5/c1-30-16-20-35(21-17-30)36-22-24-37(25-23-36)50(43-27-19-32(3)29-34(43)5)45-15-9-13-41(48-45)39-11-7-10-38(46-39)40-12-8-14-44(47-40)49(6)42-26-18-31(2)28-33(42)4/h7-29H,1-6H3
InChIKeyBJFVWCZHZSBFQQ-UHFFFAOYSA-N
XLogP11.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.86
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 80652152
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 63588619
N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline
CID 23593138
6-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80818401
N-methyl-N-(4-methylphenyl)-6-(6-methyl-2-pyridinyl)pyridin-2-amine
CID 23593334
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 101478385
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
CID 157317728
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine (CID 23593086) is N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine is Cc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5cccc(N(C)c6ccc(C)cc6C)n5)n4)n3)c3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine?
The InChIKey is BJFVWCZHZSBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41N5/c1-30-16-20-35(21-17-30)36-22-24-37(25-23-36)50(43-27-19-32(3)29-34(43)5)45-15-9-13-41(48-45)39-11-7-10-38(46-39)40-12-8-14-44(47-40)49(6)42-26-18-31(2)28-33(42)4/h7-29H,1-6H3.
What are the key properties of N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine?
N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine has a molecular weight of 651.86 g/mol, XLogP of 11.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 23593086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).