N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline

C40H29N — CID 166769723

IUPACN-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C40H29N/c1-3-10-29(11-4-1)34-16-9-17-36(27-34)39-25-24-38(28-40(39)32-13-5-2-6-14-32)41-37-22-20-31(21-23-37)35-19-18-30-12-7-8-15-33(30)26-35/h1-28,41H
InChIKeyUTDFMDKDYZKPOA-UHFFFAOYSA-N
MW523.68 g/mol
LogP11.25
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline (PubChem CID 166769723) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
PubChem CID166769723
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C40H29N/c1-3-10-29(11-4-1)34-16-9-17-36(27-34)39-25-24-38(28-40(39)32-13-5-2-6-14-32)41-37-22-20-31(21-23-37)35-19-18-30-12-7-8-15-33(30)26-35/h1-28,41H
InChIKeyUTDFMDKDYZKPOA-UHFFFAOYSA-N
XLogP11.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
N,6-diphenylnaphthalen-2-amine
CID 67205043
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
2-naphthalen-2-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860
9-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 169297430

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline (CID 166769723) is N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline?
The InChIKey is UTDFMDKDYZKPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-3-10-29(11-4-1)34-16-9-17-36(27-34)39-25-24-38(28-40(39)32-13-5-2-6-14-32)41-37-22-20-31(21-23-37)35-19-18-30-12-7-8-15-33(30)26-35/h1-28,41H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline has a molecular weight of 523.68 g/mol, XLogP of 11.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 166769723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).