10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

C64H41N5OS — CID 130336410

IUPAC10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESC=C(/C=c1\c(=C/C)oc2ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5c6ccc6c7ccccc7n(-c7ccccc7)c65)ccc43)cc12)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C64H41N5OS/c1-3-57-52(36-39(2)62-65-63(40-18-7-4-8-19-40)67-64(66-62)41-20-9-5-10-21-41)53-38-44(31-35-58(53)70-57)68-54-28-15-14-25-47(54)51-37-42(30-34-56(51)68)45-26-17-27-49-50-33-32-48-46-24-13-16-29-55(46)69(43-22-11-6-12-23-43)59(48)61(50)71-60(45)49/h3-38H,2H2,1H3/b52-36-,57-3+
InChIKeyXONCMSTYQFWECQ-OYYCRJKYSA-N
MW928.13 g/mol
LogP15.48
Rot. Bonds7

About 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 130336410) has the molecular formula C64H41N5OS and a molecular weight of 928.13 g/mol. Its IUPAC name is 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID130336410
Molecular FormulaC64H41N5OS
Molecular Weight928.13 g/mol
Exact Mass927.30
IUPAC Name10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESC=C(/C=c1\c(=C/C)oc2ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5c6ccc6c7ccccc7n(-c7ccccc7)c65)ccc43)cc12)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C64H41N5OS/c1-3-57-52(36-39(2)62-65-63(40-18-7-4-8-19-40)67-64(66-62)41-20-9-5-10-21-41)53-38-44(31-35-58(53)70-57)68-54-28-15-14-25-47(54)51-37-42(30-34-56(51)68)45-26-17-27-49-50-33-32-48-46-24-13-16-29-55(46)69(43-22-11-6-12-23-43)59(48)61(50)71-60(45)49/h3-38H,2H2,1H3/b52-36-,57-3+
InChIKeyXONCMSTYQFWECQ-OYYCRJKYSA-N
XLogP15.48
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.13
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-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

Frequently Asked Questions

What is the IUPAC name of 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 130336410) is 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is C=C(/C=c1\c(=C/C)oc2ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5c6ccc6c7ccccc7n(-c7ccccc7)c65)ccc43)cc12)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is XONCMSTYQFWECQ-OYYCRJKYSA-N. The full InChI is InChI=1S/C64H41N5OS/c1-3-57-52(36-39(2)62-65-63(40-18-7-4-8-19-40)67-64(66-62)41-20-9-5-10-21-41)53-38-44(31-35-58(53)70-57)68-54-28-15-14-25-47(54)51-37-42(30-34-56(51)68)45-26-17-27-49-50-33-32-48-46-24-13-16-29-55(46)69(43-22-11-6-12-23-43)59(48)61(50)71-60(45)49/h3-38H,2H2,1H3/b52-36-,57-3+.
What are the key properties of 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 928.13 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[(2E,3Z)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-2-enylidene]-2-ethylidene-1-benzofuran-5-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 130336410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).