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

C38H24N2S — CID 164827876

IUPAC10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5sc6c7ccccc7n(-c7ccccc7)c6c45)cc32)cc1
InChIInChI=1S/C38H24N2S/c1-3-12-26(13-4-1)39-32-19-9-7-16-29(32)30-23-22-25(24-34(30)39)28-18-11-21-35-36(28)37-38(41-35)31-17-8-10-20-33(31)40(37)27-14-5-2-6-15-27/h1-24H
InChIKeyXQNLRIGBUBPYAF-UHFFFAOYSA-N
MW540.69 g/mol
LogP10.76
Rot. Bonds3

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

10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole (PubChem CID 164827876) has the molecular formula C38H24N2S and a molecular weight of 540.69 g/mol. Its IUPAC name is 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
PubChem CID164827876
Molecular FormulaC38H24N2S
Molecular Weight540.69 g/mol
Exact Mass540.17
IUPAC Name10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5sc6c7ccccc7n(-c7ccccc7)c6c45)cc32)cc1
InChIInChI=1S/C38H24N2S/c1-3-12-26(13-4-1)39-32-19-9-7-16-29(32)30-23-22-25(24-34(30)39)28-18-11-21-35-36(28)37-38(41-35)31-17-8-10-20-33(31)40(37)27-14-5-2-6-15-27/h1-24H
InChIKeyXQNLRIGBUBPYAF-UHFFFAOYSA-N
XLogP10.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.69
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
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
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
10-phenyl-9-(10-phenylanthracen-9-yl)-[1]benzothiolo[3,2-b]indole
CID 166872391
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole (CID 164827876) is 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5sc6c7ccccc7n(-c7ccccc7)c6c45)cc32)cc1.
What is the InChIKey of 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole?
The InChIKey is XQNLRIGBUBPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S/c1-3-12-26(13-4-1)39-32-19-9-7-16-29(32)30-23-22-25(24-34(30)39)28-18-11-21-35-36(28)37-38(41-35)31-17-8-10-20-33(31)40(37)27-14-5-2-6-15-27/h1-24H.
What are the key properties of 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole?
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole has a molecular weight of 540.69 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).