N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C50H35N — CID 167235524

IUPACN-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-15-36(16-5-1)37-27-30-42(31-28-37)51(49-34-33-45(38-17-6-2-7-18-38)47-24-12-13-25-48(47)49)50-35-41(29-32-46(50)40-19-8-3-9-20-40)44-26-14-22-39-21-10-11-23-43(39)44/h1-35H
InChIKeyMDTGYABZTMUUCP-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167235524) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167235524
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-15-36(16-5-1)37-27-30-42(31-28-37)51(49-34-33-45(38-17-6-2-7-18-38)47-24-12-13-25-48(47)49)50-35-41(29-32-46(50)40-19-8-3-9-20-40)44-26-14-22-39-21-10-11-23-43(39)44/h1-35H
InChIKeyMDTGYABZTMUUCP-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 167233788
N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167234610
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986

Frequently Asked Questions

What is the IUPAC name of N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 167235524) is N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is MDTGYABZTMUUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-15-36(16-5-1)37-27-30-42(31-28-37)51(49-34-33-45(38-17-6-2-7-18-38)47-24-12-13-25-48(47)49)50-35-41(29-32-46(50)40-19-8-3-9-20-40)44-26-14-22-39-21-10-11-23-43(39)44/h1-35H.
What are the key properties of N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167235524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).