7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C38H23NS2 — CID 164828540

IUPAC7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)ccc4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-8-28(9-3-1)39-33-12-6-4-11-30(33)38-37(39)31-20-18-27(23-36(31)41-38)25-16-14-24(15-17-25)26-19-21-35-32(22-26)29-10-5-7-13-34(29)40-35/h1-23H
InChIKeyDASBABUDAQLVPJ-UHFFFAOYSA-N
MW557.74 g/mol
LogP11.70
Rot. Bonds3

About 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828540) has the molecular formula C38H23NS2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828540
Molecular FormulaC38H23NS2
Molecular Weight557.74 g/mol
Exact Mass557.13
IUPAC Name7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)ccc4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-8-28(9-3-1)39-33-12-6-4-11-30(33)38-37(39)31-20-18-27(23-36(31)41-38)25-16-14-24(15-17-25)26-19-21-35-32(22-26)29-10-5-7-13-34(29)40-35/h1-23H
InChIKeyDASBABUDAQLVPJ-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

7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
CID 144585459
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828091
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828540) is 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)ccc4c32)cc1.
What is the InChIKey of 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is DASBABUDAQLVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS2/c1-2-8-28(9-3-1)39-33-12-6-4-11-30(33)38-37(39)31-20-18-27(23-36(31)41-38)25-16-14-24(15-17-25)26-19-21-35-32(22-26)29-10-5-7-13-34(29)40-35/h1-23H.
What are the key properties of 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
7-(4-dibenzothiophen-2-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 7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).