9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole

C68H44N6 — CID 138663031

About 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole

9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole (PubChem CID 138663031) has the molecular formula C68H44N6 and a molecular weight of 945.14 g/mol. Its IUPAC name is 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole
• PubChem CID: 138663031
• Molecular Formula: C68H44N6
• Molecular Weight: 945.14 g/mol
• Exact Mass: 944.36
• IUPAC Name: 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-c3ccccn3)cccc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C68H44N6/c1-5-20-45(21-6-1)49-35-38-61-55(42-49)52-28-13-15-32-59(52)73(61)63-40-37-51(68-71-66(47-24-9-3-10-25-47)70-67(72-68)48-26-11-4-12-27-48)44-57(63)65-54(58-31-17-18-41-69-58)30-19-34-64(65)74-60-33-16-14-29-53(60)56-43-50(36-39-62(56)74)46-22-7-2-8-23-46/h1-44H
• InChIKey: YQGCVMOJGSEFAN-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.14
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole (CID 138663031) is 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole.

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

The canonical SMILES for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-c3ccccn3)cccc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.

What is the InChIKey of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole?

The InChIKey is YQGCVMOJGSEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N6/c1-5-20-45(21-6-1)49-35-38-61-55(42-49)52-28-13-15-32-59(52)73(61)63-40-37-51(68-71-66(47-24-9-3-10-25-47)70-67(72-68)48-26-11-4-12-27-48)44-57(63)65-54(58-31-17-18-41-69-58)30-19-34-64(65)74-60-33-16-14-29-53(60)56-43-50(36-39-62(56)74)46-22-7-2-8-23-46/h1-44H.

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

9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole has a molecular weight of 945.14 g/mol, XLogP of 17.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole is sourced from PubChem (CID 138663031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).