1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C51H34N4 — CID 172519987

About 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 172519987) has the molecular formula C51H34N4 and a molecular weight of 718.96 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• PubChem CID: 172519987
• Molecular Formula: C51H34N4
• Molecular Weight: 718.96 g/mol
• Exact Mass: 718.38
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-24-26-40(27-25-37)50-52-49(39-18-8-3-9-19-39)53-51(54-50)45-22-11-10-20-43(45)41-30-33-48-46(34-41)44-21-12-13-23-47(44)55(48)42-31-28-38(29-32-42)36-16-6-2-7-17-36/h1-34H/i2D,6D,7D,12D,13D,16D,17D,21D,23D,28D,29D,30D,31D,32D,33D,34D
• InChIKey: WBNYLUOGGSSGQF-ZRSBWBOHSA-N
• XLogP: 12.97
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.96
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 172519987) is 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The InChIKey is WBNYLUOGGSSGQF-ZRSBWBOHSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-24-26-40(27-25-37)50-52-49(39-18-8-3-9-19-39)53-51(54-50)45-22-11-10-20-43(45)41-30-33-48-46(34-41)44-21-12-13-23-47(44)55(48)42-31-28-38(29-32-42)36-16-6-2-7-17-36/h1-34H/i2D,6D,7D,12D,13D,16D,17D,21D,23D,28D,29D,30D,31D,32D,33D,34D.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 718.96 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 172519987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).