N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline

C40H26ClNO — CID 167190989

IUPACN-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
SMILESClc1cccc2oc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c12
InChIInChI=1S/C40H26ClNO/c41-37-16-9-17-38-39(37)36-26-35(33-14-7-8-15-34(33)40(36)43-38)29-20-24-32(25-21-29)42(30-12-5-2-6-13-30)31-22-18-28(19-23-31)27-10-3-1-4-11-27/h1-26H
InChIKeyUINUTTZMUAHVRC-UHFFFAOYSA-N
MW572.11 g/mol
LogP12.20
Rot. Bonds5

About N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline

N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline (PubChem CID 167190989) has the molecular formula C40H26ClNO and a molecular weight of 572.11 g/mol. Its IUPAC name is N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
PubChem CID167190989
Molecular FormulaC40H26ClNO
Molecular Weight572.11 g/mol
Exact Mass571.17
IUPAC NameN-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
SMILESClc1cccc2oc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c12
InChIInChI=1S/C40H26ClNO/c41-37-16-9-17-38-39(37)36-26-35(33-14-7-8-15-34(33)40(36)43-38)29-20-24-32(25-21-29)42(30-12-5-2-6-13-30)31-22-18-28(19-23-31)27-10-3-1-4-11-27/h1-26H
InChIKeyUINUTTZMUAHVRC-UHFFFAOYSA-N
XLogP12.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 155423361
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine
CID 139525602
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167253431
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline (CID 167190989) is N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline is Clc1cccc2oc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c12.
What is the InChIKey of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is UINUTTZMUAHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26ClNO/c41-37-16-9-17-38-39(37)36-26-35(33-14-7-8-15-34(33)40(36)43-38)29-20-24-32(25-21-29)42(30-12-5-2-6-13-30)31-22-18-28(19-23-31)27-10-3-1-4-11-27/h1-26H.
What are the key properties of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline?
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 572.11 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 167190989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).