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

C42H28N2 — CID 170517671

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

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole (PubChem CID 170517671) has the molecular formula C42H28N2 and a molecular weight of 575.79 g/mol. Its IUPAC name is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
• PubChem CID: 170517671
• Molecular Formula: C42H28N2
• Molecular Weight: 575.79 g/mol
• Exact Mass: 575.32
• IUPAC Name: 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
• SMILES: [2H]c1cc([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1-c1cccc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c32)c1
• InChI: InChI=1S/C42H28N2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-16-11-17-33(27-32)43-41-23-9-6-20-37(41)38-28-34(24-25-42(38)43)44-39-21-7-4-18-35(39)36-19-5-8-22-40(36)44/h1-28H/i1D,2D,3D,6D,9D,12D,13D,14D,15D,20D,23D,24D,25D,26D,28D
• InChIKey: YBWRXKCEEONKHW-GEBFABLHSA-N
• XLogP: 11.21
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.79
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole (CID 170517671) is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole is [2H]c1cc([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1-c1cccc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c32)c1.

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

The InChIKey is YBWRXKCEEONKHW-GEBFABLHSA-N. The full InChI is InChI=1S/C42H28N2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-16-11-17-33(27-32)43-41-23-9-6-20-37(41)38-28-34(24-25-42(38)43)44-39-21-7-4-18-35(39)36-19-5-8-22-40(36)44/h1-28H/i1D,2D,3D,6D,9D,12D,13D,14D,15D,20D,23D,24D,25D,26D,28D.

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

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole has a molecular weight of 575.79 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170517671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).