N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline

C40H29N — CID 167323754

IUPACN-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C40H29N/c1-3-13-30(14-4-1)32-17-9-18-33(27-32)34-19-10-23-37(28-34)41(36-21-5-2-6-22-36)38-24-11-20-35(29-38)40-26-12-16-31-15-7-8-25-39(31)40/h1-29H
InChIKeySUZLLBURNSIEDS-UHFFFAOYSA-N
MW523.68 g/mol
LogP11.31
Rot. Bonds6

About N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline

N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline (PubChem CID 167323754) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
PubChem CID167323754
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C40H29N/c1-3-13-30(14-4-1)32-17-9-18-33(27-32)34-19-10-23-37(28-34)41(36-21-5-2-6-22-36)38-24-11-20-35(29-38)40-26-12-16-31-15-7-8-25-39(31)40/h1-29H
InChIKeySUZLLBURNSIEDS-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452705
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171452161
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451381
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline (CID 167323754) is N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6ccccc56)c4)c3)c2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline?
The InChIKey is SUZLLBURNSIEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-3-13-30(14-4-1)32-17-9-18-33(27-32)34-19-10-23-37(28-34)41(36-21-5-2-6-22-36)38-24-11-20-35(29-38)40-26-12-16-31-15-7-8-25-39(31)40/h1-29H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline?
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline has a molecular weight of 523.68 g/mol, XLogP of 11.31, 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-phenyl-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 167323754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).