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

C48H32N2 — CID 172512149

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

1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 172512149) has the molecular formula C48H32N2 and a molecular weight of 662.96 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
• PubChem CID: 172512149
• Molecular Formula: C48H32N2
• Molecular Weight: 662.96 g/mol
• Exact Mass: 662.42
• IUPAC Name: 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4ccc(-c5ccc6c(c5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-45-21-11-8-18-40(45)42-31-36(25-29-47(42)49)37-26-30-48-43(32-37)41-19-9-12-22-46(41)50(48)44-20-10-7-17-39(44)35-15-5-2-6-16-35/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,27D,28D
• InChIKey: YNCCQDXVWLWCOV-VVZBEDKGSA-N
• XLogP: 12.88
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.96
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole (CID 172512149) is 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole.

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

The canonical SMILES for 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4ccc(-c5ccc6c(c5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H].

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

The InChIKey is YNCCQDXVWLWCOV-VVZBEDKGSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-45-21-11-8-18-40(45)42-31-36(25-29-47(42)49)37-26-30-48-43(32-37)41-19-9-12-22-46(41)50(48)44-20-10-7-17-39(44)35-15-5-2-6-16-35/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,27D,28D.

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

1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 662.96 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 172512149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).