3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole

C60H36N2S2 — CID 71005186

IUPAC3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C60H36N2S2/c1-2-14-37(15-3-1)40-32-41(61-53-24-8-4-16-45(53)51-34-38(28-30-55(51)61)43-20-12-22-49-47-18-6-10-26-57(47)63-59(43)49)36-42(33-40)62-54-25-9-5-17-46(54)52-35-39(29-31-56(52)62)44-21-13-23-50-48-19-7-11-27-58(48)64-60(44)50/h1-36H
InChIKeyCALWBHRRDSVPSO-UHFFFAOYSA-N
MW849.10 g/mol
LogP17.62
Rot. Bonds5

About 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole

3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole (PubChem CID 71005186) has the molecular formula C60H36N2S2 and a molecular weight of 849.10 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
PubChem CID71005186
Molecular FormulaC60H36N2S2
Molecular Weight849.10 g/mol
Exact Mass848.23
IUPAC Name3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C60H36N2S2/c1-2-14-37(15-3-1)40-32-41(61-53-24-8-4-16-45(53)51-34-38(28-30-55(51)61)43-20-12-22-49-47-18-6-10-26-57(47)63-59(43)49)36-42(33-40)62-54-25-9-5-17-46(54)52-35-39(29-31-56(52)62)44-21-13-23-50-48-19-7-11-27-58(48)64-60(44)50/h1-36H
InChIKeyCALWBHRRDSVPSO-UHFFFAOYSA-N
XLogP17.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.10
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]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

3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole (CID 71005186) is 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole?
The InChIKey is CALWBHRRDSVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2S2/c1-2-14-37(15-3-1)40-32-41(61-53-24-8-4-16-45(53)51-34-38(28-30-55(51)61)43-20-12-22-49-47-18-6-10-26-57(47)63-59(43)49)36-42(33-40)62-54-25-9-5-17-46(54)52-35-39(29-31-56(52)62)44-21-13-23-50-48-19-7-11-27-58(48)64-60(44)50/h1-36H.
What are the key properties of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole?
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole has a molecular weight of 849.10 g/mol, XLogP of 17.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 71005186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).