10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole

C52H30N2OS2 — CID 164828249

IUPAC10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5cccc6c5oc5c(-c7cccc8c7sc7c9ccccc9n(-c9ccccc9)c87)cccc56)cccc4c32)cc1
InChIInChI=1S/C52H30N2OS2/c1-3-15-31(16-4-1)53-43-29-9-7-19-39(43)51-45(53)41-27-13-25-37(49(41)56-51)35-23-11-21-33-34-22-12-24-36(48(34)55-47(33)35)38-26-14-28-42-46-52(57-50(38)42)40-20-8-10-30-44(40)54(46)32-17-5-2-6-18-32/h1-30H
InChIKeyZUYJMUSYAZXDBX-UHFFFAOYSA-N
MW762.96 g/mol
LogP15.54
Rot. Bonds4

About 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole

10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole (PubChem CID 164828249) has the molecular formula C52H30N2OS2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
PubChem CID164828249
Molecular FormulaC52H30N2OS2
Molecular Weight762.96 g/mol
Exact Mass762.18
IUPAC Name10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5cccc6c5oc5c(-c7cccc8c7sc7c9ccccc9n(-c9ccccc9)c87)cccc56)cccc4c32)cc1
InChIInChI=1S/C52H30N2OS2/c1-3-15-31(16-4-1)53-43-29-9-7-19-39(43)51-45(53)41-27-13-25-37(49(41)56-51)35-23-11-21-33-34-22-12-24-36(48(34)55-47(33)35)38-26-14-28-42-46-52(57-50(38)42)40-20-8-10-30-44(40)54(46)32-17-5-2-6-18-32/h1-30H
InChIKeyZUYJMUSYAZXDBX-UHFFFAOYSA-N
XLogP15.54
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828134
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827732
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737
8-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828044
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296120
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157487885

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole (CID 164828249) is 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4c(-c5cccc6c5oc5c(-c7cccc8c7sc7c9ccccc9n(-c9ccccc9)c87)cccc56)cccc4c32)cc1.
What is the InChIKey of 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is ZUYJMUSYAZXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2OS2/c1-3-15-31(16-4-1)53-43-29-9-7-19-39(43)51-45(53)41-27-13-25-37(49(41)56-51)35-23-11-21-33-34-22-12-24-36(48(34)55-47(33)35)38-26-14-28-42-46-52(57-50(38)42)40-20-8-10-30-44(40)54(46)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole?
10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole has a molecular weight of 762.96 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).