5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

C58H42N2 — CID 162770392

IUPAC5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C58H42N2/c1-5-15-43(16-6-1)47-27-33-54(34-28-47)59(53-23-11-4-12-24-53)57-40-52(51-26-25-46-21-13-14-22-50(46)39-51)41-58(42-57)60(55-35-29-48(30-36-55)44-17-7-2-8-18-44)56-37-31-49(32-38-56)45-19-9-3-10-20-45/h1-42H
InChIKeyIPIMCCNGWIUXDQ-UHFFFAOYSA-N
MW766.99 g/mol
LogP16.45
Rot. Bonds10

About 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 162770392) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
PubChem CID162770392
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC Name5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C58H42N2/c1-5-15-43(16-6-1)47-27-33-54(34-28-47)59(53-23-11-4-12-24-53)57-40-52(51-26-25-46-21-13-14-22-50(46)39-51)41-58(42-57)60(55-35-29-48(30-36-55)44-17-7-2-8-18-44)56-37-31-49(32-38-56)45-19-9-3-10-20-45/h1-42H
InChIKeyIPIMCCNGWIUXDQ-UHFFFAOYSA-N
XLogP16.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
3-N-[3-naphthalen-2-yl-5-(N-phenylanilino)phenyl]-1-N,1-N,5-triphenyl-3-N-(8-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 134198236
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (CID 162770392) is 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is IPIMCCNGWIUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-5-15-43(16-6-1)47-27-33-54(34-28-47)59(53-23-11-4-12-24-53)57-40-52(51-26-25-46-21-13-14-22-50(46)39-51)41-58(42-57)60(55-35-29-48(30-36-55)44-17-7-2-8-18-44)56-37-31-49(32-38-56)45-19-9-3-10-20-45/h1-42H.
What are the key properties of 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 766.99 g/mol, XLogP of 16.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 162770392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).