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

C51H34N4 — CID 172519979

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

1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 172519979) has the molecular formula C51H34N4 and a molecular weight of 714.93 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 172519979
• Molecular Formula: C51H34N4
• Molecular Weight: 714.93 g/mol
• Exact Mass: 714.35
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)cc4)c([2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C51H34N4/c1-4-13-35(14-5-1)36-27-29-40(30-28-36)50-52-49(39-15-6-2-7-16-39)53-51(54-50)43-18-12-17-41(33-43)37-23-25-38(26-24-37)42-31-32-48-46(34-42)45-21-10-11-22-47(45)55(48)44-19-8-3-9-20-44/h1-34H/i3D,8D,9D,10D,11D,19D,20D,21D,22D,31D,32D,34D
• InChIKey: DHIPNBZQZIFWLL-HPSWUETCSA-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	714.93
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-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 172519979) is 1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)cc4)c([2H])c([2H])c32)c([2H])c1[2H].

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

The InChIKey is DHIPNBZQZIFWLL-HPSWUETCSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-13-35(14-5-1)36-27-29-40(30-28-36)50-52-49(39-15-6-2-7-16-39)53-51(54-50)43-18-12-17-41(33-43)37-23-25-38(26-24-37)42-31-32-48-46(34-42)45-21-10-11-22-47(45)55(48)44-19-8-3-9-20-44/h1-34H/i3D,8D,9D,10D,11D,19D,20D,21D,22D,31D,32D,34D.

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

1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 714.93 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-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 172519979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).