3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

C43H31NO — CID 170526059

IUPAC3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1c(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)oc2ccccc12
InChIInChI=1S/C43H31NO/c1-30-41-16-7-8-17-42(41)45-43(30)37-14-9-15-40(29-37)44(38-24-20-33(21-25-38)31-10-3-2-4-11-31)39-26-22-34(23-27-39)36-19-18-32-12-5-6-13-35(32)28-36/h2-29H,1H3
InChIKeyRTPRSMYOPFAXMZ-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.37
Rot. Bonds6

About 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170526059) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170526059
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Name3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1c(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)oc2ccccc12
InChIInChI=1S/C43H31NO/c1-30-41-16-7-8-17-42(41)45-43(30)37-14-9-15-40(29-37)44(38-24-20-33(21-25-38)31-10-3-2-4-11-31)39-26-22-34(23-27-39)36-19-18-32-12-5-6-13-35(32)28-36/h2-29H,1H3
InChIKeyRTPRSMYOPFAXMZ-UHFFFAOYSA-N
XLogP12.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399243
3-(3-methyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400365
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 170399413
3-(3-methyl-1-benzofuran-2-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 170526399
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399267
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401544
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 170399249
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 170401348
3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170400441
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170399246
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170401432

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (CID 170526059) is 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is Cc1c(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)oc2ccccc12.
What is the InChIKey of 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is RTPRSMYOPFAXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-30-41-16-7-8-17-42(41)45-43(30)37-14-9-15-40(29-37)44(38-24-20-33(21-25-38)31-10-3-2-4-11-31)39-26-22-34(23-27-39)36-19-18-32-12-5-6-13-35(32)28-36/h2-29H,1H3.
What are the key properties of 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 577.73 g/mol, XLogP of 12.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170526059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).