9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole

C48H31N3 — CID 164788572

About 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole

9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole (PubChem CID 164788572) has the molecular formula C48H31N3 and a molecular weight of 656.84 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole
• PubChem CID: 164788572
• Molecular Formula: C48H31N3
• Molecular Weight: 656.84 g/mol
• Exact Mass: 656.30
• IUPAC Name: 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c(-n3c4ccccc4c4ccccc43)c2[2H])c1[2H]
• InChI: InChI=1S/C48H31N3/c1-8-22-42(51-47-27-13-6-20-40(47)41-21-7-14-28-48(41)51)35(15-1)32-29-33(49-43-23-9-2-16-36(43)37-17-3-10-24-44(37)49)31-34(30-32)50-45-25-11-4-18-38(45)39-19-5-12-26-46(39)50/h1-31H/i1D,8D,15D,22D,29D,30D,31D
• InChIKey: VMWRVVZGUQMGLC-HVWXINRTSA-N
• XLogP: 12.64
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.84
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole (CID 164788572) is 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c(-n3c4ccccc4c4ccccc43)c2[2H])c1[2H].

What is the InChIKey of 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole?

The InChIKey is VMWRVVZGUQMGLC-HVWXINRTSA-N. The full InChI is InChI=1S/C48H31N3/c1-8-22-42(51-47-27-13-6-20-40(47)41-21-7-14-28-48(41)51)35(15-1)32-29-33(49-43-23-9-2-16-36(43)37-17-3-10-24-44(37)49)31-34(30-32)50-45-25-11-4-18-38(45)39-19-5-12-26-46(39)50/h1-31H/i1D,8D,15D,22D,29D,30D,31D.

What are the key properties of 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole?

9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole has a molecular weight of 656.84 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole is sourced from PubChem (CID 164788572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).