10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole

C44H27NS2 — CID 164827847

IUPAC10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2ccc3sc4c(-c5ccccc5-c5cccc6sc7c8ccccc8n(-c8ccccc8)c7c56)cccc4c3c2)cc1
InChIInChI=1S/C44H27NS2/c1-3-13-28(14-4-1)29-25-26-39-37(27-29)35-22-11-21-34(43(35)46-39)32-18-8-7-17-31(32)33-20-12-24-40-41(33)42-44(47-40)36-19-9-10-23-38(36)45(42)30-15-5-2-6-16-30/h1-27H
InChIKeyXGMMYSTUBAVZEF-UHFFFAOYSA-N
MW633.84 g/mol
LogP13.37
Rot. Bonds4

About 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole

10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole (PubChem CID 164827847) has the molecular formula C44H27NS2 and a molecular weight of 633.84 g/mol. Its IUPAC name is 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
PubChem CID164827847
Molecular FormulaC44H27NS2
Molecular Weight633.84 g/mol
Exact Mass633.16
IUPAC Name10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2ccc3sc4c(-c5ccccc5-c5cccc6sc7c8ccccc8n(-c8ccccc8)c7c56)cccc4c3c2)cc1
InChIInChI=1S/C44H27NS2/c1-3-13-28(14-4-1)29-25-26-39-37(27-29)35-22-11-21-34(43(35)46-39)32-18-8-7-17-31(32)33-20-12-24-40-41(33)42-44(47-40)36-19-9-10-23-38(36)45(42)30-15-5-2-6-16-30/h1-27H
InChIKeyXGMMYSTUBAVZEF-UHFFFAOYSA-N
XLogP13.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole (CID 164827847) is 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole is c1ccc(-c2ccc3sc4c(-c5ccccc5-c5cccc6sc7c8ccccc8n(-c8ccccc8)c7c56)cccc4c3c2)cc1.
What is the InChIKey of 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is XGMMYSTUBAVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS2/c1-3-13-28(14-4-1)29-25-26-39-37(27-29)35-22-11-21-34(43(35)46-39)32-18-8-7-17-31(32)33-20-12-24-40-41(33)42-44(47-40)36-19-9-10-23-38(36)45(42)30-15-5-2-6-16-30/h1-27H.
What are the key properties of 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole has a molecular weight of 633.84 g/mol, XLogP of 13.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).