8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole

C56H34N2S — CID 167243655

IUPAC8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2ccc3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7sc8ccccc8c67)cc5c5ccc6ccccc6c54)cc3c2)cc1
InChIInChI=1S/C56H34N2S/c1-2-11-35(12-3-1)38-22-21-36-23-27-42(32-41(36)31-38)57-50-29-25-40(34-48(50)45-28-24-37-13-4-5-14-43(37)56(45)57)39-26-30-51-47(33-39)44-15-6-8-17-49(44)58(51)52-18-10-20-54-55(52)46-16-7-9-19-53(46)59-54/h1-34H
InChIKeyOSRPEZWBHVJSOX-UHFFFAOYSA-N
MW766.97 g/mol
LogP15.89
Rot. Bonds4

About 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole

8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole (PubChem CID 167243655) has the molecular formula C56H34N2S and a molecular weight of 766.97 g/mol. Its IUPAC name is 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
PubChem CID167243655
Molecular FormulaC56H34N2S
Molecular Weight766.97 g/mol
Exact Mass766.24
IUPAC Name8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2ccc3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7sc8ccccc8c67)cc5c5ccc6ccccc6c54)cc3c2)cc1
InChIInChI=1S/C56H34N2S/c1-2-11-35(12-3-1)38-22-21-36-23-27-42(32-41(36)31-38)57-50-29-25-40(34-48(50)45-28-24-37-13-4-5-14-43(37)56(45)57)39-26-30-51-47(33-39)44-15-6-8-17-49(44)58(51)52-18-10-20-54-55(52)46-16-7-9-19-53(46)59-54/h1-34H
InChIKeyOSRPEZWBHVJSOX-UHFFFAOYSA-N
XLogP15.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.97
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]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

8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
CID 167243807
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165044715
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole?
The IUPAC name of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole (CID 167243655) is 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole is c1ccc(-c2ccc3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7sc8ccccc8c67)cc5c5ccc6ccccc6c54)cc3c2)cc1.
What is the InChIKey of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole?
The InChIKey is OSRPEZWBHVJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2S/c1-2-11-35(12-3-1)38-22-21-36-23-27-42(32-41(36)31-38)57-50-29-25-40(34-48(50)45-28-24-37-13-4-5-14-43(37)56(45)57)39-26-30-51-47(33-39)44-15-6-8-17-49(44)58(51)52-18-10-20-54-55(52)46-16-7-9-19-53(46)59-54/h1-34H.
What are the key properties of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole?
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole has a molecular weight of 766.97 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole is sourced from PubChem (CID 167243655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).