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

C45H30N4 — CID 172519932

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

1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 172519932) has the molecular formula C45H30N4 and a molecular weight of 638.84 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 172519932
• Molecular Formula: C45H30N4
• Molecular Weight: 638.84 g/mol
• Exact Mass: 638.32
• IUPAC Name: 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)c32)c([2H])c1[2H]
• InChI: InChI=1S/C45H30N4/c1-4-13-31(14-5-1)32-23-27-35(28-24-32)44-46-43(34-15-6-2-7-16-34)47-45(48-44)36-29-25-33(26-30-36)38-20-12-21-40-39-19-10-11-22-41(39)49(42(38)40)37-17-8-3-9-18-37/h1-30H/i3D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D
• InChIKey: GIOJGXMSVMCDMD-GBTZLSNDSA-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	638.84
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 172519932) is 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)c32)c([2H])c1[2H].

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

The InChIKey is GIOJGXMSVMCDMD-GBTZLSNDSA-N. The full InChI is InChI=1S/C45H30N4/c1-4-13-31(14-5-1)32-23-27-35(28-24-32)44-46-43(34-15-6-2-7-16-34)47-45(48-44)36-29-25-33(26-30-36)38-20-12-21-40-39-19-10-11-22-41(39)49(42(38)40)37-17-8-3-9-18-37/h1-30H/i3D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D.

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

1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 638.84 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 1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 172519932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).