N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline

C38H27NO — CID 170400224

IUPACN,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc(-c3oc4ccccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C38H27NO/c1-4-15-28(16-5-1)33-23-10-12-25-35(33)39(31-20-8-3-9-21-31)32-22-14-19-30(27-32)38-37(29-17-6-2-7-18-29)34-24-11-13-26-36(34)40-38/h1-27H
InChIKeyVDUMBJNNSROTNT-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.90
Rot. Bonds6

About N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline

N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline (PubChem CID 170400224) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
PubChem CID170400224
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC NameN,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc(-c3oc4ccccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C38H27NO/c1-4-15-28(16-5-1)33-23-10-12-25-35(33)39(31-20-8-3-9-21-31)32-22-14-19-30(27-32)38-37(29-17-6-2-7-18-29)34-24-11-13-26-36(34)40-38/h1-27H
InChIKeyVDUMBJNNSROTNT-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-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402264
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 170526212
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
CID 170401910
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170526305
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline?
The IUPAC name of N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline (CID 170400224) is N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline.
What is the SMILES notation for N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline?
The canonical SMILES for N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline is c1ccc(-c2ccccc2N(c2ccccc2)c2cccc(-c3oc4ccccc4c3-c3ccccc3)c2)cc1.
What is the InChIKey of N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline?
The InChIKey is VDUMBJNNSROTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-4-15-28(16-5-1)33-23-10-12-25-35(33)39(31-20-8-3-9-21-31)32-22-14-19-30(27-32)38-37(29-17-6-2-7-18-29)34-24-11-13-26-36(34)40-38/h1-27H.
What are the key properties of N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline?
N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]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,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 170400224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).