5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole

C64H40N6O — CID 155160161

About 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole

5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole (PubChem CID 155160161) has the molecular formula C64H40N6O and a molecular weight of 909.07 g/mol. Its IUPAC name is 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole
• PubChem CID: 155160161
• Molecular Formula: C64H40N6O
• Molecular Weight: 909.07 g/mol
• Exact Mass: 908.33
• IUPAC Name: 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole
• SMILES: Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c21
• InChI: InChI=1S/C64H40N6O/c1-39-37-49(64-66-62(40-21-5-2-6-22-40)65-63(67-64)41-23-7-3-8-24-41)61-57(47-31-15-20-36-55(47)71-61)58(39)70-52-34-18-13-29-45(52)48-38-54(69-50-32-16-11-27-43(50)44-28-12-17-33-51(44)69)56-46-30-14-19-35-53(46)68(60(56)59(48)70)42-25-9-4-10-26-42/h2-38H,1H3
• InChIKey: NRQXAIGFURFQCW-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.07
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole?

The IUPAC name of 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole (CID 155160161) is 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c21.

What is the InChIKey of 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole?

The InChIKey is NRQXAIGFURFQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6O/c1-39-37-49(64-66-62(40-21-5-2-6-22-40)65-63(67-64)41-23-7-3-8-24-41)61-57(47-31-15-20-36-55(47)71-61)58(39)70-52-34-18-13-29-45(52)48-38-54(69-50-32-16-11-27-43(50)44-28-12-17-33-51(44)69)56-46-30-14-19-35-53(46)68(60(56)59(48)70)42-25-9-4-10-26-42/h2-38H,1H3.

What are the key properties of 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole?

5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole has a molecular weight of 909.07 g/mol, XLogP of 16.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 155160161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).