4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine

C30H28N2 — CID 143685003

IUPAC4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc2)cc1
InChIInChI=1S/C30H28N2/c1-23-15-17-25(18-16-23)31(2)26-19-21-28(22-20-26)32(27-11-4-3-5-12-27)30-14-8-10-24-9-6-7-13-29(24)30/h3-5,7-8,10-22H,6,9H2,1-2H3
InChIKeyVFOKSYPABMYCKA-UHFFFAOYSA-N
MW416.57 g/mol
LogP8.19
Rot. Bonds5

About 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine

4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 143685003) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
PubChem CID143685003
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc2)cc1
InChIInChI=1S/C30H28N2/c1-23-15-17-25(18-16-23)31(2)26-19-21-28(22-20-26)32(27-11-4-3-5-12-27)30-14-8-10-24-9-6-7-13-29(24)30/h3-5,7-8,10-22H,6,9H2,1-2H3
InChIKeyVFOKSYPABMYCKA-UHFFFAOYSA-N
XLogP8.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 155148864
N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 163927412
N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
CID 170040436
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016

Frequently Asked Questions

What is the IUPAC name of 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine (CID 143685003) is 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine is Cc1ccc(N(C)c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc2)cc1.
What is the InChIKey of 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is VFOKSYPABMYCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-23-15-17-25(18-16-23)31(2)26-19-21-28(22-20-26)32(27-11-4-3-5-12-27)30-14-8-10-24-9-6-7-13-29(24)30/h3-5,7-8,10-22H,6,9H2,1-2H3.
What are the key properties of 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 416.57 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 143685003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).