N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline

C51H37NO — CID 170526144

IUPACN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c2)oc2ccccc12
InChIInChI=1S/C51H37NO/c1-36-47-19-9-11-22-50(47)53-51(36)44-18-12-17-43(35-44)41-29-33-46(34-30-41)52(45-31-27-40(28-32-45)38-15-6-3-7-16-38)49-21-10-8-20-48(49)42-25-23-39(24-26-42)37-13-4-2-5-14-37/h2-35H,1H3
InChIKeyOQVBXJIPXWWALV-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.55
Rot. Bonds8

About N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline (PubChem CID 170526144) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline
PubChem CID170526144
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c2)oc2ccccc12
InChIInChI=1S/C51H37NO/c1-36-47-19-9-11-22-50(47)53-51(36)44-18-12-17-43(35-44)41-29-33-46(34-30-41)52(45-31-27-40(28-32-45)38-15-6-3-7-16-38)49-21-10-8-20-48(49)42-25-23-39(24-26-42)37-13-4-2-5-14-37/h2-35H,1H3
InChIKeyOQVBXJIPXWWALV-UHFFFAOYSA-N
XLogP14.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170401454
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170401316
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170399246
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399271
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170401567
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399357
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170399466
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-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170401362
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 170401348
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170401577

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline (CID 170526144) is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline is Cc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c2)oc2ccccc12.
What is the InChIKey of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline?
The InChIKey is OQVBXJIPXWWALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-36-47-19-9-11-22-50(47)53-51(36)44-18-12-17-43(35-44)41-29-33-46(34-30-41)52(45-31-27-40(28-32-45)38-15-6-3-7-16-38)49-21-10-8-20-48(49)42-25-23-39(24-26-42)37-13-4-2-5-14-37/h2-35H,1H3.
What are the key properties of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline?
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline has a molecular weight of 679.86 g/mol, XLogP of 14.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 170526144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).