N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline

C38H27NO — CID 170401910

IUPACN-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3oc4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C38H27NO/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)39(31-18-8-3-9-19-31)35-22-12-10-20-33(35)38-37(30-16-6-2-7-17-30)34-21-11-13-23-36(34)40-38/h1-27H
InChIKeyUTBKCKBYUVNZEU-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.90
Rot. Bonds6

About N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline

N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline (PubChem CID 170401910) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
PubChem CID170401910
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC NameN-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3oc4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C38H27NO/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)39(31-18-8-3-9-19-31)35-22-12-10-20-33(35)38-37(30-16-6-2-7-17-30)34-21-11-13-23-36(34)40-38/h1-27H
InChIKeyUTBKCKBYUVNZEU-UHFFFAOYSA-N
XLogP10.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170402015
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170526305
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401915
N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170400224
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401905
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402264
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
CID 138481415
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline (CID 170401910) is N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3oc4ccccc4c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is UTBKCKBYUVNZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)39(31-18-8-3-9-19-31)35-22-12-10-20-33(35)38-37(30-16-6-2-7-17-30)34-21-11-13-23-36(34)40-38/h1-27H.
What are the key properties of N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline?
N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 513.64 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170401910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).