N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine

C46H33N — CID 166041824

IUPACN-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C46H33N/c1-4-14-34(15-5-1)36-26-28-39(29-27-36)43-23-12-20-40-21-13-25-45(46(40)43)47(41-32-30-37(31-33-41)35-16-6-2-7-17-35)44-24-11-10-22-42(44)38-18-8-3-9-19-38/h1-33H
InChIKeyYJMRAGXHWHUBHZ-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine

N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine (PubChem CID 166041824) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine
PubChem CID166041824
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C46H33N/c1-4-14-34(15-5-1)36-26-28-39(29-27-36)43-23-12-20-40-21-13-25-45(46(40)43)47(41-32-30-37(31-33-41)35-16-6-2-7-17-35)44-24-11-10-22-42(44)38-18-8-3-9-19-38/h1-33H
InChIKeyYJMRAGXHWHUBHZ-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-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304738
N-naphthalen-1-yl-8-phenyl-N-(2-phenylphenyl)naphthalen-1-amine
CID 156570934
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
2,4-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)aniline;3,4-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 159965840
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine
CID 166041816
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine (CID 166041824) is N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(-c3cccc4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is YJMRAGXHWHUBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-14-34(15-5-1)36-26-28-39(29-27-36)43-23-12-20-40-21-13-25-45(46(40)43)47(41-32-30-37(31-33-41)35-16-6-2-7-17-35)44-24-11-10-22-42(44)38-18-8-3-9-19-38/h1-33H.
What are the key properties of N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine?
N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine 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-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 166041824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).