6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine

C36H22ClNOS2 — CID 158203016

IUPAC6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine
SMILESClc1ccc2c(c1)Sc1cc(-c3cccc4c3oc3ccc(N(c5ccccc5)c5ccccc5)cc34)ccc1S2
InChIInChI=1S/C36H22ClNOS2/c37-24-15-19-33-35(21-24)41-34-20-23(14-18-32(34)40-33)28-12-7-13-29-30-22-27(16-17-31(30)39-36(28)29)38(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-22H
InChIKeySZTBQIRINNVFNW-UHFFFAOYSA-N
MW584.17 g/mol
LogP11.99
Rot. Bonds4

About 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine

6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine (PubChem CID 158203016) has the molecular formula C36H22ClNOS2 and a molecular weight of 584.17 g/mol. Its IUPAC name is 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine.

Molecular Properties

Compound Name6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine
PubChem CID158203016
Molecular FormulaC36H22ClNOS2
Molecular Weight584.17 g/mol
Exact Mass583.08
IUPAC Name6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine
SMILESClc1ccc2c(c1)Sc1cc(-c3cccc4c3oc3ccc(N(c5ccccc5)c5ccccc5)cc34)ccc1S2
InChIInChI=1S/C36H22ClNOS2/c37-24-15-19-33-35(21-24)41-34-20-23(14-18-32(34)40-33)28-12-7-13-29-30-22-27(16-17-31(30)39-36(28)29)38(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-22H
InChIKeySZTBQIRINNVFNW-UHFFFAOYSA-N
XLogP11.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.17
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,18-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050042
3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 138519402
N,18-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050522
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
N-(4-phenylphenyl)-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168789012
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075

Frequently Asked Questions

What is the IUPAC name of 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine?
The IUPAC name of 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine (CID 158203016) is 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine.
What is the SMILES notation for 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine?
The canonical SMILES for 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine is Clc1ccc2c(c1)Sc1cc(-c3cccc4c3oc3ccc(N(c5ccccc5)c5ccccc5)cc34)ccc1S2.
What is the InChIKey of 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine?
The InChIKey is SZTBQIRINNVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClNOS2/c37-24-15-19-33-35(21-24)41-34-20-23(14-18-32(34)40-33)28-12-7-13-29-30-22-27(16-17-31(30)39-36(28)29)38(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-22H.
What are the key properties of 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine?
6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine has a molecular weight of 584.17 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine is sourced from PubChem (CID 158203016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).