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

C50H35NO — CID 170400196

IUPAC3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-4-14-36(15-5-1)38-26-28-39(29-27-38)40-30-32-44(33-31-40)51(45-22-12-20-42(34-45)37-16-6-2-7-17-37)46-23-13-21-43(35-46)50-49(41-18-8-3-9-19-41)47-24-10-11-25-48(47)52-50/h1-35H
InChIKeyRJTSWSRTJBJRPP-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.24
Rot. Bonds8

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

3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170400196) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170400196
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-4-14-36(15-5-1)38-26-28-39(29-27-38)40-30-32-44(33-31-40)51(45-22-12-20-42(34-45)37-16-6-2-7-17-37)46-23-13-21-43(35-46)50-49(41-18-8-3-9-19-41)47-24-10-11-25-48(47)52-50/h1-35H
InChIKeyRJTSWSRTJBJRPP-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170400243
N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078
N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401801
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
3-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402242
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170400196) is 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RJTSWSRTJBJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-4-14-36(15-5-1)38-26-28-39(29-27-38)40-30-32-44(33-31-40)51(45-22-12-20-42(34-45)37-16-6-2-7-17-37)46-23-13-21-43(35-46)50-49(41-18-8-3-9-19-41)47-24-10-11-25-48(47)52-50/h1-35H.
What are the key properties of 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 665.84 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170400196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).