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

C44H28N2S — CID 164828067

IUPAC10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4cccc5sc6c7ccccc7n(-c7ccccc7)c6c45)c32)cc1
InChIInChI=1S/C44H28N2S/c1-3-15-29(16-4-1)45-38-26-11-9-21-33(38)36-25-13-24-35(42(36)45)32-20-8-7-19-31(32)34-23-14-28-40-41(34)43-44(47-40)37-22-10-12-27-39(37)46(43)30-17-5-2-6-18-30/h1-28H
InChIKeyCZGZSAULGUSHNV-UHFFFAOYSA-N
MW616.79 g/mol
LogP12.43
Rot. Bonds4

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

10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole (PubChem CID 164828067) has the molecular formula C44H28N2S and a molecular weight of 616.79 g/mol. Its IUPAC name is 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
PubChem CID164828067
Molecular FormulaC44H28N2S
Molecular Weight616.79 g/mol
Exact Mass616.20
IUPAC Name10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4cccc5sc6c7ccccc7n(-c7ccccc7)c6c45)c32)cc1
InChIInChI=1S/C44H28N2S/c1-3-15-29(16-4-1)45-38-26-11-9-21-33(38)36-25-13-24-35(42(36)45)32-20-8-7-19-31(32)34-23-14-28-40-41(34)43-44(47-40)37-22-10-12-27-39(37)46(43)30-17-5-2-6-18-30/h1-28H
InChIKeyCZGZSAULGUSHNV-UHFFFAOYSA-N
XLogP12.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
10-phenyl-9-(10-phenylanthracen-9-yl)-[1]benzothiolo[3,2-b]indole
CID 166872391
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827732
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827847
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
9-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827777
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole (CID 164828067) is 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4cccc5sc6c7ccccc7n(-c7ccccc7)c6c45)c32)cc1.
What is the InChIKey of 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is CZGZSAULGUSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S/c1-3-15-29(16-4-1)45-38-26-11-9-21-33(38)36-25-13-24-35(42(36)45)32-20-8-7-19-31(32)34-23-14-28-40-41(34)43-44(47-40)37-22-10-12-27-39(37)46(43)30-17-5-2-6-18-30/h1-28H.
What are the key properties of 10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole has a molecular weight of 616.79 g/mol, XLogP of 12.43, 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-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).