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

C48H32N2 — CID 171458084

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

9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole (PubChem CID 171458084) has the molecular formula C48H32N2 and a molecular weight of 645.85 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole
• PubChem CID: 171458084
• Molecular Formula: C48H32N2
• Molecular Weight: 645.85 g/mol
• Exact Mass: 645.31
• IUPAC Name: 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)c([2H])c1[2H]
• InChI: InChI=1S/C48H32N2/c1-3-14-33(15-4-1)34-26-28-36(29-27-34)49-44-23-11-9-20-40(44)41-31-30-37(32-47(41)49)50-45-24-12-10-21-43(45)48-42(22-13-25-46(48)50)39-19-8-7-18-38(39)35-16-5-2-6-17-35/h1-32H/i2D,5D,6D,7D,8D,16D,17D,18D,19D
• InChIKey: IIZYRNBANJXOFG-AHCMLZITSA-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	645.85
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole (CID 171458084) is 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole.

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

The canonical SMILES for 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)c([2H])c1[2H].

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

The InChIKey is IIZYRNBANJXOFG-AHCMLZITSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-14-33(15-4-1)34-26-28-36(29-27-34)49-44-23-11-9-20-40(44)41-31-30-37(32-47(41)49)50-45-24-12-10-21-43(45)48-42(22-13-25-46(48)50)39-19-8-7-18-38(39)35-16-5-2-6-17-35/h1-32H/i2D,5D,6D,7D,8D,16D,17D,18D,19D.

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

9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole has a molecular weight of 645.85 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 9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole is sourced from PubChem (CID 171458084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).