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

C40H24ClNOS — CID 139525602

IUPACN-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine
SMILESClc1cccc2oc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)cc4)cc3c12
InChIInChI=1S/C40H24ClNOS/c41-33-15-8-17-35-38(33)32-24-31(28-12-4-5-13-29(28)40(32)43-35)25-20-22-27(23-21-25)42(26-10-2-1-3-11-26)34-16-9-19-37-39(34)30-14-6-7-18-36(30)44-37/h1-24H
InChIKeyHTAQFKWLAGJWFV-UHFFFAOYSA-N
MW602.16 g/mol
LogP12.90
Rot. Bonds4

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

N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine (PubChem CID 139525602) has the molecular formula C40H24ClNOS and a molecular weight of 602.16 g/mol. Its IUPAC name is N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine
PubChem CID139525602
Molecular FormulaC40H24ClNOS
Molecular Weight602.16 g/mol
Exact Mass601.13
IUPAC NameN-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine
SMILESClc1cccc2oc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)cc4)cc3c12
InChIInChI=1S/C40H24ClNOS/c41-33-15-8-17-35-38(33)32-24-31(28-12-4-5-13-29(28)40(32)43-35)25-20-22-27(23-21-25)42(26-10-2-1-3-11-26)34-16-9-19-37-39(34)30-14-6-7-18-36(30)44-37/h1-24H
InChIKeyHTAQFKWLAGJWFV-UHFFFAOYSA-N
XLogP12.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.16
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
CID 167190989
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301532
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 174329064
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
2-N-dibenzothiophen-1-yl-2-N-phenyl-4-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 170044035
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
CID 167403092

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine (CID 139525602) is N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine is Clc1cccc2oc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)cc4)cc3c12.
What is the InChIKey of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
The InChIKey is HTAQFKWLAGJWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24ClNOS/c41-33-15-8-17-35-38(33)32-24-31(28-12-4-5-13-29(28)40(32)43-35)25-20-22-27(23-21-25)42(26-10-2-1-3-11-26)34-16-9-19-37-39(34)30-14-6-7-18-36(30)44-37/h1-24H.
What are the key properties of N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine has a molecular weight of 602.16 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 139525602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).