4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine

C119H97N5 — CID 159675140

IUPAC4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C27H21N.2C23H19N.C19H17N/c1-20-16-18-23(19-17-20)28(26-14-6-10-21-8-2-4-12-24(21)26)27-15-7-11-22-9-3-5-13-25(22)27;1-20-13-16-24(17-14-20)28(25-18-15-21-7-2-3-9-23(21)19-25)27-12-6-10-22-8-4-5-11-26(22)27;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2*2-19H,1H3;2*2-17H,1H3;2-15H,1H3
InChIKeyMUMSFLUASISEIO-UHFFFAOYSA-N
MW1597.12 g/mol
LogP34.24
Rot. Bonds15

About 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine

4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 159675140) has the molecular formula C119H97N5 and a molecular weight of 1597.12 g/mol. Its IUPAC name is 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID159675140
Molecular FormulaC119H97N5
Molecular Weight1597.12 g/mol
Exact Mass1595.77
IUPAC Name4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C27H21N.2C23H19N.C19H17N/c1-20-16-18-23(19-17-20)28(26-14-6-10-21-8-2-4-12-24(21)26)27-15-7-11-22-9-3-5-13-25(22)27;1-20-13-16-24(17-14-20)28(25-18-15-21-7-2-3-9-23(21)19-25)27-12-6-10-22-8-4-5-11-26(22)27;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2*2-19H,1H3;2*2-17H,1H3;2-15H,1H3
InChIKeyMUMSFLUASISEIO-UHFFFAOYSA-N
XLogP34.24
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001597.12
LogP ≤ 534.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-4-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N-naphthalen-1-yl-4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N,4-N-trinaphthalen-1-ylbenzene-1,4-diamine
CID 158255176
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159764357
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine (CID 159675140) is 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine is Cc1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is MUMSFLUASISEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N.2C23H19N.C19H17N/c1-20-16-18-23(19-17-20)28(26-14-6-10-21-8-2-4-12-24(21)26)27-15-7-11-22-9-3-5-13-25(22)27;1-20-13-16-24(17-14-20)28(25-18-15-21-7-2-3-9-23(21)19-25)27-12-6-10-22-8-4-5-11-26(22)27;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2*2-19H,1H3;2*2-17H,1H3;2-15H,1H3.
What are the key properties of 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 1597.12 g/mol, XLogP of 34.24, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 159675140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).