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

C48H31N3 — CID 170659950

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole (PubChem CID 170659950) has the molecular formula C48H31N3 and a molecular weight of 676.96 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole
• PubChem CID: 170659950
• Molecular Formula: C48H31N3
• Molecular Weight: 676.96 g/mol
• Exact Mass: 676.42
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])c54)c([2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C48H31N3/c1-2-14-32(15-3-1)35-16-4-9-21-42(35)51-46-25-13-8-20-39(46)41-30-33(27-29-47(41)51)50-45-24-12-7-19-38(45)40-28-26-34(31-48(40)50)49-43-22-10-5-17-36(43)37-18-6-11-23-44(37)49/h1-31H/i1D,2D,3D,5D,6D,7D,8D,10D,11D,12D,13D,14D,15D,17D,18D,19D,20D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D
• InChIKey: GFCMBLBEJZMNLG-LWABPWPESA-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	676.96
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole (CID 170659950) is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])c54)c([2H])c([2H])c32)c([2H])c1[2H].

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

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

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole has a molecular weight of 676.96 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 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170659950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).