2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C66H45N5O — CID 145141020

About 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 145141020) has the molecular formula C66H45N5O and a molecular weight of 924.12 g/mol. Its IUPAC name is 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 145141020
• Molecular Formula: C66H45N5O
• Molecular Weight: 924.12 g/mol
• Exact Mass: 923.36
• IUPAC Name: 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4n(C4=CC=CCC4)c3cc21
• InChI: InChI=1S/C66H45N5O/c1-66(2)55-27-14-12-25-47(55)49-36-52-50-34-42(29-31-58(50)70(59(52)38-56(49)66)45-22-10-5-11-23-45)43-30-32-61-53(35-43)54-37-51-48-26-13-15-28-57(48)71(60(51)39-62(54)72-61)46-24-16-21-44(33-46)65-68-63(40-17-6-3-7-18-40)67-64(69-65)41-19-8-4-9-20-41/h3-10,12-22,24-39H,11,23H2,1-2H3
• InChIKey: JKOGBLLEXMFWNL-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.12
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 145141020) is 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4n(C4=CC=CCC4)c3cc21.

What is the InChIKey of 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?

The InChIKey is JKOGBLLEXMFWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N5O/c1-66(2)55-27-14-12-25-47(55)49-36-52-50-34-42(29-31-58(50)70(59(52)38-56(49)66)45-22-10-5-11-23-45)43-30-32-61-53(35-43)54-37-51-48-26-13-15-28-57(48)71(60(51)39-62(54)72-61)46-24-16-21-44(33-46)65-68-63(40-17-6-3-7-18-40)67-64(69-65)41-19-8-4-9-20-41/h3-10,12-22,24-39H,11,23H2,1-2H3.

What are the key properties of 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?

2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 924.12 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145141020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).