4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole

C66H44N2OS — CID 129225641

IUPAC4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
SMILESC/C=C(\C=C(/C)c1ccccc1)n1c2ccccc2c2c(-c3cc(-c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)cccc21
InChIInChI=1S/C66H44N2OS/c1-3-47(35-41(2)42-17-5-4-6-18-42)67-59-27-12-8-22-56(59)65-49(23-16-28-60(65)67)45-36-44(37-46(38-45)50-24-15-25-55-54-21-10-14-30-64(54)70-66(50)55)43-31-33-52-51-19-7-11-26-58(51)68(61(52)39-43)48-32-34-63-57(40-48)53-20-9-13-29-62(53)69-63/h3-40H,1-2H3/b41-35+,47-3+
InChIKeyWIYCFGOXBCJWFN-GWKUPHDHSA-N
MW913.16 g/mol
LogP19.12
Rot. Bonds7

About 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole

4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole (PubChem CID 129225641) has the molecular formula C66H44N2OS and a molecular weight of 913.16 g/mol. Its IUPAC name is 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole.

Molecular Properties

Compound Name4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
PubChem CID129225641
Molecular FormulaC66H44N2OS
Molecular Weight913.16 g/mol
Exact Mass912.32
IUPAC Name4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
SMILESC/C=C(\C=C(/C)c1ccccc1)n1c2ccccc2c2c(-c3cc(-c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)cccc21
InChIInChI=1S/C66H44N2OS/c1-3-47(35-41(2)42-17-5-4-6-18-42)67-59-27-12-8-22-56(59)65-49(23-16-28-60(65)67)45-36-44(37-46(38-45)50-24-15-25-55-54-21-10-14-30-64(54)70-66(50)55)43-31-33-52-51-19-7-11-26-58(51)68(61(52)39-43)48-32-34-63-57(40-48)53-20-9-13-29-62(53)69-63/h3-40H,1-2H3/b41-35+,47-3+
InChIKeyWIYCFGOXBCJWFN-GWKUPHDHSA-N
XLogP19.12
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.16
LogP ≤ 519.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole?
The IUPAC name of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole (CID 129225641) is 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole.
What is the SMILES notation for 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole?
The canonical SMILES for 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole is C/C=C(\C=C(/C)c1ccccc1)n1c2ccccc2c2c(-c3cc(-c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)cccc21.
What is the InChIKey of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole?
The InChIKey is WIYCFGOXBCJWFN-GWKUPHDHSA-N. The full InChI is InChI=1S/C66H44N2OS/c1-3-47(35-41(2)42-17-5-4-6-18-42)67-59-27-12-8-22-56(59)65-49(23-16-28-60(65)67)45-36-44(37-46(38-45)50-24-15-25-55-54-21-10-14-30-64(54)70-66(50)55)43-31-33-52-51-19-7-11-26-58(51)68(61(52)39-43)48-32-34-63-57(40-48)53-20-9-13-29-62(53)69-63/h3-40H,1-2H3/b41-35+,47-3+.
What are the key properties of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole?
4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole has a molecular weight of 913.16 g/mol, XLogP of 19.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole is sourced from PubChem (CID 129225641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).