N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline

C50H33NOS — CID 164744697

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1
InChIInChI=1S/C50H33NOS/c1-2-8-34(9-3-1)36-18-25-42(26-19-36)51(44-29-22-39(23-30-44)48-33-41-10-4-6-12-47(41)52-48)43-27-20-37(21-28-43)35-14-16-38(17-15-35)40-24-31-50-46(32-40)45-11-5-7-13-49(45)53-50/h1-33H
InChIKeyREMQTFNZWYYXCQ-UHFFFAOYSA-N
MW695.89 g/mol
LogP14.94
Rot. Bonds7

About N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 164744697) has the molecular formula C50H33NOS and a molecular weight of 695.89 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline
PubChem CID164744697
Molecular FormulaC50H33NOS
Molecular Weight695.89 g/mol
Exact Mass695.23
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1
InChIInChI=1S/C50H33NOS/c1-2-8-34(9-3-1)36-18-25-42(26-19-36)51(44-29-22-39(23-30-44)48-33-41-10-4-6-12-47(41)52-48)43-27-20-37(21-28-43)35-14-16-38(17-15-35)40-24-31-50-46(32-40)45-11-5-7-13-49(45)53-50/h1-33H
InChIKeyREMQTFNZWYYXCQ-UHFFFAOYSA-N
XLogP14.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.89
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392916

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline (CID 164744697) is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is REMQTFNZWYYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NOS/c1-2-8-34(9-3-1)36-18-25-42(26-19-36)51(44-29-22-39(23-30-44)48-33-41-10-4-6-12-47(41)52-48)43-27-20-37(21-28-43)35-14-16-38(17-15-35)40-24-31-50-46(32-40)45-11-5-7-13-49(45)53-50/h1-33H.
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline?
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 695.89 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 164744697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).