4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline

C40H28FN — CID 139352771

IUPAC4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline
SMILESFc1cc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc2cc1-c1ccccc1
InChIInChI=1S/C40H28FN/c41-40-28-35-26-33(20-21-34(35)27-39(40)32-10-4-1-5-11-32)31-18-16-29(17-19-31)30-22-24-38(25-23-30)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-28H
InChIKeyYAKTWMGBKRSBDO-UHFFFAOYSA-N
MW541.67 g/mol
LogP11.45
Rot. Bonds6

About 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline

4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline (PubChem CID 139352771) has the molecular formula C40H28FN and a molecular weight of 541.67 g/mol. Its IUPAC name is 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline
PubChem CID139352771
Molecular FormulaC40H28FN
Molecular Weight541.67 g/mol
Exact Mass541.22
IUPAC Name4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline
SMILESFc1cc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc2cc1-c1ccccc1
InChIInChI=1S/C40H28FN/c41-40-28-35-26-33(20-21-34(35)27-39(40)32-10-4-1-5-11-32)31-18-16-29(17-19-31)30-22-24-38(25-23-30)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-28H
InChIKeyYAKTWMGBKRSBDO-UHFFFAOYSA-N
XLogP11.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.67
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139352483
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
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-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135163982
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline (CID 139352771) is 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline is Fc1cc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc2cc1-c1ccccc1.
What is the InChIKey of 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is YAKTWMGBKRSBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28FN/c41-40-28-35-26-33(20-21-34(35)27-39(40)32-10-4-1-5-11-32)31-18-16-29(17-19-31)30-22-24-38(25-23-30)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-28H.
What are the key properties of 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline?
4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 541.67 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-fluoro-6-phenylnaphthalen-2-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 139352771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).