1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C45H30N4 — CID 176849570

About 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 176849570) has the molecular formula C45H30N4 and a molecular weight of 652.92 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 176849570
• Molecular Formula: C45H30N4
• Molecular Weight: 652.92 g/mol
• Exact Mass: 652.41
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])cc1-c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])nc(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])n1
• InChI: InChI=1S/C45H30N4/c1-4-15-31(16-5-1)34-21-14-22-36(29-34)44-46-43(33-19-8-3-9-20-33)47-45(48-44)39-30-35(32-17-6-2-7-18-32)27-28-42(39)49-40-25-12-10-23-37(40)38-24-11-13-26-41(38)49/h1-30H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,29D
• InChIKey: ZDENKEFEZFYNMI-DAUJZUDXSA-N
• XLogP: 11.30
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.92
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 176849570) is 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])cc1-c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])nc(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])n1.

What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is ZDENKEFEZFYNMI-DAUJZUDXSA-N. The full InChI is InChI=1S/C45H30N4/c1-4-15-31(16-5-1)34-21-14-22-36(29-34)44-46-43(33-19-8-3-9-20-33)47-45(48-44)39-30-35(32-17-6-2-7-18-32)27-28-42(39)49-40-25-12-10-23-37(40)38-24-11-13-26-41(38)49/h1-30H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,29D.

What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 652.92 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 176849570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).