1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

C35H30N2 — CID 118686066

IUPAC1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C35H30N2/c1-26(2)36(33-20-19-27-11-6-7-13-29(27)25-33)31-21-23-32(24-22-31)37(30-15-4-3-5-16-30)35-18-10-14-28-12-8-9-17-34(28)35/h3-26H,1-2H3
InChIKeyLQQAGELKQQNRRS-UHFFFAOYSA-N
MW478.64 g/mol
LogP10.01
Rot. Bonds6

About 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 118686066) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
PubChem CID118686066
Molecular FormulaC35H30N2
Molecular Weight478.64 g/mol
Exact Mass478.24
IUPAC Name1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C35H30N2/c1-26(2)36(33-20-19-27-11-6-7-13-29(27)25-33)31-21-23-32(24-22-31)37(30-15-4-3-5-16-30)35-18-10-14-28-12-8-9-17-34(28)35/h3-26H,1-2H3
InChIKeyLQQAGELKQQNRRS-UHFFFAOYSA-N
XLogP10.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
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 158284393
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
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
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
N-(3-naphthalen-1-ylphenyl)-N-propan-2-ylnaphthalen-2-amine
CID 59308147
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
4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 143268218
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

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (CID 118686066) is 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is CC(C)N(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is LQQAGELKQQNRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2/c1-26(2)36(33-20-19-27-11-6-7-13-29(27)25-33)31-21-23-32(24-22-31)37(30-15-4-3-5-16-30)35-18-10-14-28-12-8-9-17-34(28)35/h3-26H,1-2H3.
What are the key properties of 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 478.64 g/mol, XLogP of 10.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 118686066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).