N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine

C36H22ClNOS — CID 170046419

IUPACN-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine
SMILESClc1ccc(-c2cccc3sc4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4c23)cc1
InChIInChI=1S/C36H22ClNOS/c37-24-18-16-23(17-19-24)27-11-6-15-34-35(27)29-22-26(20-21-33(29)40-34)38(25-8-2-1-3-9-25)30-12-7-14-32-36(30)28-10-4-5-13-31(28)39-32/h1-22H
InChIKeyKWZAMZYNWSIIRK-UHFFFAOYSA-N
MW552.10 g/mol
LogP11.74
Rot. Bonds4

About N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine

N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine (PubChem CID 170046419) has the molecular formula C36H22ClNOS and a molecular weight of 552.10 g/mol. Its IUPAC name is N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine
PubChem CID170046419
Molecular FormulaC36H22ClNOS
Molecular Weight552.10 g/mol
Exact Mass551.11
IUPAC NameN-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine
SMILESClc1ccc(-c2cccc3sc4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4c23)cc1
InChIInChI=1S/C36H22ClNOS/c37-24-18-16-23(17-19-24)27-11-6-15-34-35(27)29-22-26(20-21-33(29)40-34)38(25-8-2-1-3-9-25)30-12-7-14-32-36(30)28-10-4-5-13-31(28)39-32/h1-22H
InChIKeyKWZAMZYNWSIIRK-UHFFFAOYSA-N
XLogP11.74
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.10
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 165004236
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 170535175
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
CID 170039765

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine (CID 170046419) is N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine is Clc1ccc(-c2cccc3sc4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4c23)cc1.
What is the InChIKey of N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine?
The InChIKey is KWZAMZYNWSIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClNOS/c37-24-18-16-23(17-19-24)27-11-6-15-34-35(27)29-22-26(20-21-33(29)40-34)38(25-8-2-1-3-9-25)30-12-7-14-32-36(30)28-10-4-5-13-31(28)39-32/h1-22H.
What are the key properties of N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine?
N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine has a molecular weight of 552.10 g/mol, XLogP of 11.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-chlorophenyl)dibenzothiophen-2-yl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 170046419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).