6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine

C48H33NO — CID 170400604

IUPAC6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4cc(-c5cccc(-c6cc7ccccc7o6)c5)ccc4c3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)45-19-8-9-20-46(45)49(43-17-5-2-6-18-43)44-29-28-39-30-38(26-27-40(39)32-44)37-15-11-16-41(31-37)48-33-42-14-7-10-21-47(42)50-48/h1-33H
InChIKeyCVVCHSTUQNUUBS-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine

6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170400604) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID170400604
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4cc(-c5cccc(-c6cc7ccccc7o6)c5)ccc4c3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)45-19-8-9-20-46(45)49(43-17-5-2-6-18-43)44-29-28-39-30-38(26-27-40(39)32-44)37-15-11-16-41(31-37)48-33-42-14-7-10-21-47(42)50-48/h1-33H
InChIKeyCVVCHSTUQNUUBS-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170402214
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 170526196
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398858
6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170400566
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 170398640
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine (CID 170400604) is 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4cc(-c5cccc(-c6cc7ccccc7o6)c5)ccc4c3)cc2)cc1.
What is the InChIKey of 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is CVVCHSTUQNUUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)45-19-8-9-20-46(45)49(43-17-5-2-6-18-43)44-29-28-39-30-38(26-27-40(39)32-44)37-15-11-16-41(31-37)48-33-42-14-7-10-21-47(42)50-48/h1-33H.
What are the key properties of 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine?
6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170400604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).