9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C38H23NS2 — CID 164827815

IUPAC9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-11-25(12-3-1)39-32-18-8-6-16-31(32)38-37(39)36-30(17-10-20-34(36)41-38)27-14-5-4-13-26(27)24-21-22-29-28-15-7-9-19-33(28)40-35(29)23-24/h1-23H
InChIKeyPRQCKGFAVSZGRB-UHFFFAOYSA-N
MW557.74 g/mol
LogP11.70
Rot. Bonds3

About 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164827815) has the molecular formula C38H23NS2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164827815
Molecular FormulaC38H23NS2
Molecular Weight557.74 g/mol
Exact Mass557.13
IUPAC Name9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-11-25(12-3-1)39-32-18-8-6-16-31(32)38-37(39)36-30(17-10-20-34(36)41-38)27-14-5-4-13-26(27)24-21-22-29-28-15-7-9-19-33(28)40-35(29)23-24/h1-23H
InChIKeyPRQCKGFAVSZGRB-UHFFFAOYSA-N
XLogP11.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
9-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827777
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828529
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827847
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
9-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828049
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396

Frequently Asked Questions

What is the IUPAC name of 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164827815) is 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4cccc(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4c32)cc1.
What is the InChIKey of 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is PRQCKGFAVSZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS2/c1-2-11-25(12-3-1)39-32-18-8-6-16-31(32)38-37(39)36-30(17-10-20-34(36)41-38)27-14-5-4-13-26(27)24-21-22-29-28-15-7-9-19-33(28)40-35(29)23-24/h1-23H.
What are the key properties of 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 557.74 g/mol, XLogP of 11.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).