N-methyl-N,2-bis(4-phenylphenyl)aniline;propane

C34H33N — CID 145370298

IUPACN-methyl-N,2-bis(4-phenylphenyl)aniline;propane
SMILESCCC.CN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H25N.C3H8/c1-32(29-22-20-27(21-23-29)25-12-6-3-7-13-25)31-15-9-8-14-30(31)28-18-16-26(17-19-28)24-10-4-2-5-11-24;1-3-2/h2-23H,1H3;3H2,1-2H3
InChIKeyQUGFUFYAXIGVLW-UHFFFAOYSA-N
MW455.65 g/mol
LogP9.87
Rot. Bonds5

About N-methyl-N,2-bis(4-phenylphenyl)aniline;propane

N-methyl-N,2-bis(4-phenylphenyl)aniline;propane (PubChem CID 145370298) has the molecular formula C34H33N and a molecular weight of 455.65 g/mol. Its IUPAC name is N-methyl-N,2-bis(4-phenylphenyl)aniline;propane.

Molecular Properties

Compound NameN-methyl-N,2-bis(4-phenylphenyl)aniline;propane
PubChem CID145370298
Molecular FormulaC34H33N
Molecular Weight455.65 g/mol
Exact Mass455.26
IUPAC NameN-methyl-N,2-bis(4-phenylphenyl)aniline;propane
SMILESCCC.CN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H25N.C3H8/c1-32(29-22-20-27(21-23-29)25-12-6-3-7-13-25)31-15-9-8-14-30(31)28-18-16-26(17-19-28)24-10-4-2-5-11-24;1-3-2/h2-23H,1H3;3H2,1-2H3
InChIKeyQUGFUFYAXIGVLW-UHFFFAOYSA-N
XLogP9.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 163746160
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
CID 132560477
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 160529888
1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine;1-N-methyl-1-N-naphthalen-2-yl-2-N,2-N-diphenylbenzene-1,2-diamine
CID 158025779
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene
CID 144911514
2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one
CID 15090544

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,2-bis(4-phenylphenyl)aniline;propane?
The IUPAC name of N-methyl-N,2-bis(4-phenylphenyl)aniline;propane (CID 145370298) is N-methyl-N,2-bis(4-phenylphenyl)aniline;propane.
What is the SMILES notation for N-methyl-N,2-bis(4-phenylphenyl)aniline;propane?
The canonical SMILES for N-methyl-N,2-bis(4-phenylphenyl)aniline;propane is CCC.CN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N,2-bis(4-phenylphenyl)aniline;propane?
The InChIKey is QUGFUFYAXIGVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N.C3H8/c1-32(29-22-20-27(21-23-29)25-12-6-3-7-13-25)31-15-9-8-14-30(31)28-18-16-26(17-19-28)24-10-4-2-5-11-24;1-3-2/h2-23H,1H3;3H2,1-2H3.
What are the key properties of N-methyl-N,2-bis(4-phenylphenyl)aniline;propane?
N-methyl-N,2-bis(4-phenylphenyl)aniline;propane has a molecular weight of 455.65 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-bis(4-phenylphenyl)aniline;propane is sourced from PubChem (CID 145370298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).