N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C50H35NO — CID 170398609

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc(-c5cc6ccccc6o5)c4)cc3)c2)cc1
InChIInChI=1S/C50H35NO/c1-4-14-36(15-5-1)40-21-12-22-41(30-40)39-26-28-46(29-27-39)51(47-24-13-23-42(32-47)50-35-43-20-10-11-25-49(43)52-50)48-33-44(37-16-6-2-7-17-37)31-45(34-48)38-18-8-3-9-19-38/h1-35H
InChIKeyNGIBODDEZWPVHX-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.24
Rot. Bonds8

About N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline

N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 170398609) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID170398609
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc(-c5cc6ccccc6o5)c4)cc3)c2)cc1
InChIInChI=1S/C50H35NO/c1-4-14-36(15-5-1)40-21-12-22-41(30-40)39-26-28-46(29-27-39)51(47-24-13-23-42(32-47)50-35-43-20-10-11-25-49(43)52-50)48-33-44(37-16-6-2-7-17-37)31-45(34-48)38-18-8-3-9-19-38/h1-35H
InChIKeyNGIBODDEZWPVHX-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

N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398270
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 170398609) is N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc(-c5cc6ccccc6o5)c4)cc3)c2)cc1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is NGIBODDEZWPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-4-14-36(15-5-1)40-21-12-22-41(30-40)39-26-28-46(29-27-39)51(47-24-13-23-42(32-47)50-35-43-20-10-11-25-49(43)52-50)48-33-44(37-16-6-2-7-17-37)31-45(34-48)38-18-8-3-9-19-38/h1-35H.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-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 N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170398609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).