9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne

C108H74N12 — CID 165087431

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne (PubChem CID 165087431) has the molecular formula C108H74N12 and a molecular weight of 1539.86 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne.

Molecular Properties

• Compound Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne
• PubChem CID: 165087431
• Molecular Formula: C108H74N12
• Molecular Weight: 1539.86 g/mol
• Exact Mass: 1538.62
• IUPAC Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne
• SMILES: C#CC#CC#C.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/3C34H24N4.C6H2/c1-23-20-21-31-28(22-23)26-16-8-10-18-29(26)38(31)30-19-11-9-17-27(30)34-36-32(24-12-4-2-5-13-24)35-33(37-34)25-14-6-3-7-15-25;1-23-19-20-31-29(21-23)28-17-8-9-18-30(28)38(31)27-16-10-15-26(22-27)34-36-32(24-11-4-2-5-12-24)35-33(37-34)25-13-6-3-7-14-25;1-23-16-21-31-29(22-23)28-14-8-9-15-30(28)38(31)27-19-17-26(18-20-27)34-36-32(24-10-4-2-5-11-24)35-33(37-34)25-12-6-3-7-13-25;1-3-5-6-4-2/h3*2-22H,1H3;1-2H
• InChIKey: WCYVYJWHDFJSAN-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.86
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne (CID 165087431) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne.

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

The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne is C#CC#CC#C.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne?

The InChIKey is WCYVYJWHDFJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C34H24N4.C6H2/c1-23-20-21-31-28(22-23)26-16-8-10-18-29(26)38(31)30-19-11-9-17-27(30)34-36-32(24-12-4-2-5-13-24)35-33(37-34)25-14-6-3-7-15-25;1-23-19-20-31-29(21-23)28-17-8-9-18-30(28)38(31)27-16-10-15-26(22-27)34-36-32(24-11-4-2-5-12-24)35-33(37-34)25-13-6-3-7-14-25;1-23-16-21-31-29(22-23)28-14-8-9-15-30(28)38(31)27-19-17-26(18-20-27)34-36-32(24-10-4-2-5-11-24)35-33(37-34)25-12-6-3-7-13-25;1-3-5-6-4-2/h3*2-22H,1H3;1-2H.

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne has a molecular weight of 1539.86 g/mol, XLogP of 25.09, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole;hexa-1,3,5-triyne is sourced from PubChem (CID 165087431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).