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

C46H31N5 — CID 130352928

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

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole (PubChem CID 130352928) has the molecular formula C46H31N5 and a molecular weight of 653.79 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
• PubChem CID: 130352928
• Molecular Formula: C46H31N5
• Molecular Weight: 653.79 g/mol
• Exact Mass: 653.26
• IUPAC Name: 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
• SMILES: Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
• InChI: InChI=1S/C46H31N5/c1-30-28-33(46-48-44(31-14-4-2-5-15-31)47-45(49-46)32-16-6-3-7-17-32)24-26-39(30)51-42-23-13-10-20-37(42)38-29-34(25-27-43(38)51)50-40-21-11-8-18-35(40)36-19-9-12-22-41(36)50/h2-29H,1H3
• InChIKey: BZTKRSVPIKNCGM-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.79
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole (CID 130352928) is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.

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

The InChIKey is BZTKRSVPIKNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5/c1-30-28-33(46-48-44(31-14-4-2-5-15-31)47-45(49-46)32-16-6-3-7-17-32)24-26-39(30)51-42-23-13-10-20-37(42)38-29-34(25-27-43(38)51)50-40-21-11-8-18-35(40)36-19-9-12-22-41(36)50/h2-29H,1H3.

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

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole has a molecular weight of 653.79 g/mol, XLogP of 11.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole is sourced from PubChem (CID 130352928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).