N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

C40H29N — CID 172526975

IUPACN,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C40H29N/c1-4-12-30(13-5-1)31-20-25-36(26-21-31)41(35-17-8-3-9-18-35)37-27-22-33(23-28-37)39-29-24-32-14-10-11-19-38(32)40(39)34-15-6-2-7-16-34/h1-29H
InChIKeyGNERLAANBRGDKU-UHFFFAOYSA-N
MW523.68 g/mol
LogP11.31
Rot. Bonds6

About N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 172526975) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
PubChem CID172526975
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC NameN,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C40H29N/c1-4-12-30(13-5-1)31-20-25-36(26-21-31)41(35-17-8-3-9-18-35)37-27-22-33(23-28-37)39-29-24-32-14-10-11-19-38(32)40(39)34-15-6-2-7-16-34/h1-29H
InChIKeyGNERLAANBRGDKU-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

4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
CID 172527346
N-[4-[1-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166916880
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527065
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
2,3,5,6-tetradeuterio-N-phenyl-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527160

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (CID 172526975) is N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The InChIKey is GNERLAANBRGDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-4-12-30(13-5-1)31-20-25-36(26-21-31)41(35-17-8-3-9-18-35)37-27-22-33(23-28-37)39-29-24-32-14-10-11-19-38(32)40(39)34-15-6-2-7-16-34/h1-29H.
What are the key properties of N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 172526975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).