N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline

C46H48N2 — CID 18381200

IUPACN-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(-c3ccc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c(C)c3)cc2C)cc1C
InChIInChI=1S/C46H48N2/c1-29-11-17-41(25-33(29)5)47(42-18-12-30(2)34(6)26-42)45-21-15-39(23-37(45)9)40-16-22-46(38(10)24-40)48(43-19-13-31(3)35(7)27-43)44-20-14-32(4)36(8)28-44/h11-28H,1-10H3
InChIKeySFKCMZYFLJJBMA-UHFFFAOYSA-N
MW628.90 g/mol
LogP13.38
Rot. Bonds7

About N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline

N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline (PubChem CID 18381200) has the molecular formula C46H48N2 and a molecular weight of 628.90 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline
PubChem CID18381200
Molecular FormulaC46H48N2
Molecular Weight628.90 g/mol
Exact Mass628.38
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(-c3ccc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c(C)c3)cc2C)cc1C
InChIInChI=1S/C46H48N2/c1-29-11-17-41(25-33(29)5)47(42-18-12-30(2)34(6)26-42)45-21-15-39(23-37(45)9)40-16-22-46(38(10)24-40)48(43-19-13-31(3)35(7)27-43)44-20-14-32(4)36(8)28-44/h11-28H,1-10H3
InChIKeySFKCMZYFLJJBMA-UHFFFAOYSA-N
XLogP13.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.90
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-(3,4-dimethylphenyl)-4-ethylanilino)-3-methylphenyl]-2-methylphenyl]-N-(4-ethylphenyl)-3,4-dimethylaniline
CID 20617990
N-[4-[3-methoxy-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-methylphenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277282
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
CID 20761159
2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol
CID 67361149
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
3-N-[4-[4-(N-[3-(diethylamino)phenyl]-4-methylanilino)-3-methylphenyl]-2-methylphenyl]-1-N,1-N-diethyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 20761203
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
4-N-[4-[4-[4-(1-aminobutyl)-N-(3,4-dimethylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-1-N-butyl-4-N-(3,4-dimethylphenyl)benzene-1,4-diamine
CID 130421309
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline (CID 18381200) is N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc(-c3ccc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c(C)c3)cc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline?
The InChIKey is SFKCMZYFLJJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2/c1-29-11-17-41(25-33(29)5)47(42-18-12-30(2)34(6)26-42)45-21-15-39(23-37(45)9)40-16-22-46(38(10)24-40)48(43-19-13-31(3)35(7)27-43)44-20-14-32(4)36(8)28-44/h11-28H,1-10H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline?
N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline has a molecular weight of 628.90 g/mol, XLogP of 13.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline is sourced from PubChem (CID 18381200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).