N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline

C46H33N — CID 139352483

IUPACN-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6-c6ccccc6)cc5)cc4)cc3c2)cc1
InChIInChI=1S/C46H33N/c1-4-12-34(13-5-1)39-22-20-36-21-23-40(33-41(36)32-39)35-24-28-43(29-25-35)47(42-16-8-3-9-17-42)44-30-26-38(27-31-44)46-19-11-10-18-45(46)37-14-6-2-7-15-37/h1-33H
InChIKeyGBSBYBONGIWBHF-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline

N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 139352483) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID139352483
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6-c6ccccc6)cc5)cc4)cc3c2)cc1
InChIInChI=1S/C46H33N/c1-4-12-34(13-5-1)39-22-20-36-21-23-40(33-41(36)32-39)35-24-28-43(29-25-35)47(42-16-8-3-9-17-42)44-30-26-38(27-31-44)46-19-11-10-18-45(46)37-14-6-2-7-15-37/h1-33H
InChIKeyGBSBYBONGIWBHF-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-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161079097
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline
CID 139352771
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline (CID 139352483) is N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6-c6ccccc6)cc5)cc4)cc3c2)cc1.
What is the InChIKey of N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is GBSBYBONGIWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-12-34(13-5-1)39-22-20-36-21-23-40(33-41(36)32-39)35-24-28-43(29-25-35)47(42-16-8-3-9-17-42)44-30-26-38(27-31-44)46-19-11-10-18-45(46)37-14-6-2-7-15-37/h1-33H.
What are the key properties of N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline?
N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]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-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 139352483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).