9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole

C78H47N9S — CID 58099806

IUPAC9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole
SMILESc1cncc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n3-c2ccc3sc4c(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1
InChIInChI=1S/C78H47N9S/c1-7-54(42-79-27-1)48-13-20-70-62(33-48)63-34-49(55-8-2-28-80-43-55)14-21-71(63)85(70)60-19-26-77-68(39-60)69-40-61(86-72-22-15-50(56-9-3-29-81-44-56)35-64(72)65-36-51(16-23-73(65)86)57-10-4-30-82-45-57)41-76(78(69)88-77)87-74-24-17-52(58-11-5-31-83-46-58)37-66(74)67-38-53(18-25-75(67)87)59-12-6-32-84-47-59/h1-47H
InChIKeySQWYFAGXUHZUBH-UHFFFAOYSA-N
MW1142.36 g/mol
LogP19.72
Rot. Bonds9

About 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole

9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole (PubChem CID 58099806) has the molecular formula C78H47N9S and a molecular weight of 1142.36 g/mol. Its IUPAC name is 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole.

Molecular Properties

Compound Name9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole
PubChem CID58099806
Molecular FormulaC78H47N9S
Molecular Weight1142.36 g/mol
Exact Mass1141.37
IUPAC Name9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole
SMILESc1cncc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n3-c2ccc3sc4c(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1
InChIInChI=1S/C78H47N9S/c1-7-54(42-79-27-1)48-13-20-70-62(33-48)63-34-49(55-8-2-28-80-43-55)14-21-71(63)85(70)60-19-26-77-68(39-60)69-40-61(86-72-22-15-50(56-9-3-29-81-44-56)35-64(72)65-36-51(16-23-73(65)86)57-10-4-30-82-45-57)41-76(78(69)88-77)87-74-24-17-52(58-11-5-31-83-46-58)37-66(74)67-38-53(18-25-75(67)87)59-12-6-32-84-47-59/h1-47H
InChIKeySQWYFAGXUHZUBH-UHFFFAOYSA-N
XLogP19.72
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.36
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole 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

9-dibenzothiophen-2-yl-2-phenyl-6-pyridin-3-ylcarbazole
CID 163526919
8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251055
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
CID 138726343
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
CID 154591070
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299

Frequently Asked Questions

What is the IUPAC name of 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole?
The IUPAC name of 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole (CID 58099806) is 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole.
What is the SMILES notation for 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole?
The canonical SMILES for 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole is c1cncc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n3-c2ccc3sc4c(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1.
What is the InChIKey of 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole?
The InChIKey is SQWYFAGXUHZUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H47N9S/c1-7-54(42-79-27-1)48-13-20-70-62(33-48)63-34-49(55-8-2-28-80-43-55)14-21-71(63)85(70)60-19-26-77-68(39-60)69-40-61(86-72-22-15-50(56-9-3-29-81-44-56)35-64(72)65-36-51(16-23-73(65)86)57-10-4-30-82-45-57)41-76(78(69)88-77)87-74-24-17-52(58-11-5-31-83-46-58)37-66(74)67-38-53(18-25-75(67)87)59-12-6-32-84-47-59/h1-47H.
What are the key properties of 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole?
9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole has a molecular weight of 1142.36 g/mol, XLogP of 19.72, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole is sourced from PubChem (CID 58099806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).