N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline

C46H33N — CID 167324216

IUPACN-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc5ccccc45)c3)c2)cc1
InChIInChI=1S/C46H33N/c1-3-15-34(16-4-1)37-21-11-23-39(31-37)45-28-9-10-30-46(45)47(41-25-12-22-38(32-41)35-17-5-2-6-18-35)42-26-13-24-40(33-42)44-29-14-20-36-19-7-8-27-43(36)44/h1-33H
InChIKeyQZKUPLNEMBEACI-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline

N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline (PubChem CID 167324216) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
PubChem CID167324216
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc5ccccc45)c3)c2)cc1
InChIInChI=1S/C46H33N/c1-3-15-34(16-4-1)37-21-11-23-39(31-37)45-28-9-10-30-46(45)47(41-25-12-22-38(32-41)35-17-5-2-6-18-35)42-26-13-24-40(33-42)44-29-14-20-36-19-7-8-27-43(36)44/h1-33H
InChIKeyQZKUPLNEMBEACI-UHFFFAOYSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
CID 167272465
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline (CID 167324216) is N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc5ccccc45)c3)c2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline?
The InChIKey is QZKUPLNEMBEACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-3-15-34(16-4-1)37-21-11-23-39(31-37)45-28-9-10-30-46(45)47(41-25-12-22-38(32-41)35-17-5-2-6-18-35)42-26-13-24-40(33-42)44-29-14-20-36-19-7-8-27-43(36)44/h1-33H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline?
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline has a molecular weight of 599.78 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline is sourced from PubChem (CID 167324216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).