1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine

C50H36N2 — CID 175867125

IUPAC1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C50H36N2/c1-4-18-37(19-5-1)40-24-14-25-41(36-40)46-32-17-35-49(51(42-26-6-2-7-27-42)47-33-15-22-38-20-10-12-30-44(38)47)50(46)52(43-28-8-3-9-29-43)48-34-16-23-39-21-11-13-31-45(39)48/h1-36H
InChIKeyDRUSVIRUOKJJAH-UHFFFAOYSA-N
MW664.85 g/mol
LogP14.27
Rot. Bonds8

About 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine

1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine (PubChem CID 175867125) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine
PubChem CID175867125
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C50H36N2/c1-4-18-37(19-5-1)40-24-14-25-41(36-40)46-32-17-35-49(51(42-26-6-2-7-27-42)47-33-15-22-38-20-10-12-30-44(38)47)50(46)52(43-28-8-3-9-29-43)48-34-16-23-39-21-11-13-31-45(39)48/h1-36H
InChIKeyDRUSVIRUOKJJAH-UHFFFAOYSA-N
XLogP14.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-di(anthracen-1-yl)-1-N,2-N-diphenyl-3-(4-phenylphenyl)benzene-1,2-diamine
CID 18680487
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine
CID 58251500
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine (CID 175867125) is 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine is c1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3N(c3ccccc3)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine?
The InChIKey is DRUSVIRUOKJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-4-18-37(19-5-1)40-24-14-25-41(36-40)46-32-17-35-49(51(42-26-6-2-7-27-42)47-33-15-22-38-20-10-12-30-44(38)47)50(46)52(43-28-8-3-9-29-43)48-34-16-23-39-21-11-13-31-45(39)48/h1-36H.
What are the key properties of 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine?
1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine has a molecular weight of 664.85 g/mol, XLogP of 14.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dinaphthalen-1-yl-1-N,2-N-diphenyl-3-(3-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 175867125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).