3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole

C70H44N6O — CID 129190256

About 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole

3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole (PubChem CID 129190256) has the molecular formula C70H44N6O and a molecular weight of 985.16 g/mol. Its IUPAC name is 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole.

Molecular Properties

• Compound Name: 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole
• PubChem CID: 129190256
• Molecular Formula: C70H44N6O
• Molecular Weight: 985.16 g/mol
• Exact Mass: 984.36
• IUPAC Name: 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole
• SMILES: C#C/C=c1\c(=C/C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6c5)ccc43)ccc2n1-c1ccccc1
• InChI: InChI=1S/C70H44N6O/c1-3-18-60-52(4-2)57-42-50(32-36-65(57)74(60)49-23-12-7-13-24-49)75-61-27-16-14-25-53(61)55-39-46(29-34-63(55)75)47-30-35-64-56(40-47)54-26-15-17-28-62(54)76(64)51-33-38-67-59(43-51)58-41-48(31-37-66(58)77-67)70-72-68(44-19-8-5-9-20-44)71-69(73-70)45-21-10-6-11-22-45/h1,4-43H,2H3/b52-4-,60-18+
• InChIKey: XWGHHSPVIYWXJC-ZKGDJIMNSA-N
• XLogP: 15.79
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.16
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole?

The IUPAC name of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole (CID 129190256) is 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole.

What is the SMILES notation for 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole?

The canonical SMILES for 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole is C#C/C=c1\c(=C/C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6c5)ccc43)ccc2n1-c1ccccc1.

What is the InChIKey of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole?

The InChIKey is XWGHHSPVIYWXJC-ZKGDJIMNSA-N. The full InChI is InChI=1S/C70H44N6O/c1-3-18-60-52(4-2)57-42-50(32-36-65(57)74(60)49-23-12-7-13-24-49)75-61-27-16-14-25-53(61)55-39-46(29-34-63(55)75)47-30-35-64-56(40-47)54-26-15-17-28-62(54)76(64)51-33-38-67-59(43-51)58-41-48(31-37-66(58)77-67)70-72-68(44-19-8-5-9-20-44)71-69(73-70)45-21-10-6-11-22-45/h1,4-43H,2H3/b52-4-,60-18+.

What are the key properties of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole?

3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole has a molecular weight of 985.16 g/mol, XLogP of 15.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole is sourced from PubChem (CID 129190256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).