7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole

C48H28N2S2 — CID 167193329

IUPAC7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)cc2)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C48H28N2S2/c1-5-16-41-33(12-1)37-25-39-35-14-3-7-18-45(35)51-47(39)27-43(37)49(41)31-22-20-29(21-23-31)30-10-9-11-32(24-30)50-42-17-6-2-13-34(42)38-26-40-36-15-4-8-19-46(36)52-48(40)28-44(38)50/h1-28H
InChIKeyBSZDNAFRQPAIID-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.28
Rot. Bonds3

About 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole

7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 167193329) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID167193329
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)cc2)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C48H28N2S2/c1-5-16-41-33(12-1)37-25-39-35-14-3-7-18-45(35)51-47(39)27-43(37)49(41)31-22-20-29(21-23-31)30-10-9-11-32(24-30)50-42-17-6-2-13-34(42)38-26-40-36-15-4-8-19-46(36)52-48(40)28-44(38)50/h1-28H
InChIKeyBSZDNAFRQPAIID-UHFFFAOYSA-N
XLogP14.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
7-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]carbazole
CID 167260204
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 167193329) is 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is c1cc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)cc2)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.
What is the InChIKey of 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is BSZDNAFRQPAIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-5-16-41-33(12-1)37-25-39-35-14-3-7-18-45(35)51-47(39)27-43(37)49(41)31-22-20-29(21-23-31)30-10-9-11-32(24-30)50-42-17-6-2-13-34(42)38-26-40-36-15-4-8-19-46(36)52-48(40)28-44(38)50/h1-28H.
What are the key properties of 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 696.90 g/mol, XLogP of 14.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 167193329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).