N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline

C38H27NO — CID 170526268

IUPACN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)cc1
InChIInChI=1S/C38H27NO/c1-3-10-28(11-4-1)29-18-22-35(23-19-29)39(34-15-5-2-6-16-34)36-24-20-30(21-25-36)31-13-9-14-32(26-31)38-27-33-12-7-8-17-37(33)40-38/h1-27H
InChIKeyARZMKDXZDVYXMR-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.90
Rot. Bonds6

About N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 170526268) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
PubChem CID170526268
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC NameN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)cc1
InChIInChI=1S/C38H27NO/c1-3-10-28(11-4-1)29-18-22-35(23-19-29)39(34-15-5-2-6-16-34)36-24-20-30(21-25-36)31-13-9-14-32(26-31)38-27-33-12-7-8-17-37(33)40-38/h1-27H
InChIKeyARZMKDXZDVYXMR-UHFFFAOYSA-N
XLogP10.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
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
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline (CID 170526268) is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is ARZMKDXZDVYXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-3-10-28(11-4-1)29-18-22-35(23-19-29)39(34-15-5-2-6-16-34)36-24-20-30(21-25-36)31-13-9-14-32(26-31)38-27-33-12-7-8-17-37(33)40-38/h1-27H.
What are the key properties of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 513.64 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 170526268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).