N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C50H35NO — CID 118459345

IUPACN-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)oc5c4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-5-13-36(14-6-1)38-21-28-44(29-22-38)51(45-30-23-39(24-31-45)37-15-7-2-8-16-37)46-32-25-40(26-33-46)43-27-34-47-48(35-43)52-50(42-19-11-4-12-20-42)49(47)41-17-9-3-10-18-41/h1-35H
InChIKeyAHOBXIOIUXNNQQ-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.24
Rot. Bonds8

About N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118459345) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118459345
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)oc5c4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-5-13-36(14-6-1)38-21-28-44(29-22-38)51(45-30-23-39(24-31-45)37-15-7-2-8-16-37)46-32-25-40(26-33-46)43-27-34-47-48(35-43)52-50(42-19-11-4-12-20-42)49(47)41-17-9-3-10-18-41/h1-35H
InChIKeyAHOBXIOIUXNNQQ-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-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
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
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
6-[4-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]phenyl]-2,3-diphenyl-1-benzofuran
CID 59582999
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118459345) is N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)oc5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AHOBXIOIUXNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-5-13-36(14-6-1)38-21-28-44(29-22-38)51(45-30-23-39(24-31-45)37-15-7-2-8-16-37)46-32-25-40(26-33-46)43-27-34-47-48(35-43)52-50(42-19-11-4-12-20-42)49(47)41-17-9-3-10-18-41/h1-35H.
What are the key properties of N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)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 N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118459345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).