N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine

C44H31N — CID 167324300

IUPACN-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-2-13-32(14-3-1)33-27-29-36(30-28-33)42-23-8-9-25-43(42)45(44-26-12-18-35-16-5-7-22-41(35)44)38-20-10-19-37(31-38)40-24-11-17-34-15-4-6-21-39(34)40/h1-31H
InChIKeyXVLBWHMEVHBEQI-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine

N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 167324300) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID167324300
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-2-13-32(14-3-1)33-27-29-36(30-28-33)42-23-8-9-25-43(42)45(44-26-12-18-35-16-5-7-22-41(35)44)38-20-10-19-37(31-38)40-24-11-17-34-15-4-6-21-39(34)40/h1-31H
InChIKeyXVLBWHMEVHBEQI-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.46
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,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
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-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 167324300) is N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is XVLBWHMEVHBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-2-13-32(14-3-1)33-27-29-36(30-28-33)42-23-8-9-25-43(42)45(44-26-12-18-35-16-5-7-22-41(35)44)38-20-10-19-37(31-38)40-24-11-17-34-15-4-6-21-39(34)40/h1-31H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 573.74 g/mol, XLogP of 12.46, 6 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-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167324300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).