N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene

C44H41N — CID 144911514

IUPACN-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene
SMILESCc1cccc(-c2ccc(-c3ccccc3N(C)c3ccccc3)cc2)c1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C26H23N.C11H10.C7H8/c1-20-9-8-10-23(19-20)21-15-17-22(18-16-21)25-13-6-7-14-26(25)27(2)24-11-4-3-5-12-24;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h3-19H,1-2H3;2-8H,1H3;2-6H,1H3
InChIKeyLSPURKYVIRSGHF-UHFFFAOYSA-N
MW583.82 g/mol
LogP12.24
Rot. Bonds4

About N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene

N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene (PubChem CID 144911514) has the molecular formula C44H41N and a molecular weight of 583.82 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene
PubChem CID144911514
Molecular FormulaC44H41N
Molecular Weight583.82 g/mol
Exact Mass583.32
IUPAC NameN-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene
SMILESCc1cccc(-c2ccc(-c3ccccc3N(C)c3ccccc3)cc2)c1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C26H23N.C11H10.C7H8/c1-20-9-8-10-23(19-20)21-15-17-22(18-16-21)25-13-6-7-14-26(25)27(2)24-11-4-3-5-12-24;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h3-19H,1-2H3;2-8H,1H3;2-6H,1H3
InChIKeyLSPURKYVIRSGHF-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.82
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 159021382
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
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CID 158589771
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
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N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
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N-methyl-N,2-bis(4-phenylphenyl)aniline;propane
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N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
anisole;1-methoxy-2-phenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene
CID 160602044
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene?
The IUPAC name of N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene (CID 144911514) is N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene.
What is the SMILES notation for N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene?
The canonical SMILES for N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene is Cc1cccc(-c2ccc(-c3ccccc3N(C)c3ccccc3)cc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.
What is the InChIKey of N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene?
The InChIKey is LSPURKYVIRSGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N.C11H10.C7H8/c1-20-9-8-10-23(19-20)21-15-17-22(18-16-21)25-13-6-7-14-26(25)27(2)24-11-4-3-5-12-24;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h3-19H,1-2H3;2-8H,1H3;2-6H,1H3.
What are the key properties of N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene?
N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene has a molecular weight of 583.82 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene is sourced from PubChem (CID 144911514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).