3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C60H37N9 — CID 146572883

About 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 146572883) has the molecular formula C60H37N9 and a molecular weight of 884.02 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 146572883
• Molecular Formula: C60H37N9
• Molecular Weight: 884.02 g/mol
• Exact Mass: 883.32
• IUPAC Name: 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)n5)ccc43)n2)cc1
• InChI: InChI=1S/C60H37N9/c1-4-18-38(19-5-1)55-61-56(39-20-6-2-7-21-39)64-59(63-55)68-51-30-16-12-26-45(51)47-36-41(32-34-53(47)68)58-62-57(40-22-8-3-9-23-40)65-60(66-58)69-52-31-17-13-27-46(52)48-37-42(33-35-54(48)69)67-49-28-14-10-24-43(49)44-25-11-15-29-50(44)67/h1-37H
• InChIKey: OWLWKZKAPYZWMR-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.02
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 146572883) is 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)n5)ccc43)n2)cc1.

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

The InChIKey is OWLWKZKAPYZWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N9/c1-4-18-38(19-5-1)55-61-56(39-20-6-2-7-21-39)64-59(63-55)68-51-30-16-12-26-45(51)47-36-41(32-34-53(47)68)58-62-57(40-22-8-3-9-23-40)65-60(66-58)69-52-31-17-13-27-46(52)48-37-42(33-35-54(48)69)67-49-28-14-10-24-43(49)44-25-11-15-29-50(44)67/h1-37H.

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

3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 884.02 g/mol, XLogP of 14.02, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 146572883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).