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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole

C54H35N3 — CID 170518078

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-(2,6-diphenylphenyl)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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole (PubChem CID 170518078) has the molecular formula C54H35N3 and a molecular weight of 748.03 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-(2,6-diphenylphenyl)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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole
• PubChem CID: 170518078
• Molecular Formula: C54H35N3
• Molecular Weight: 748.03 g/mol
• Exact Mass: 747.42
• 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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3c([2H])c([2H])c4c(c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n4-c3c(-c4ccccc4)cccc3-c3ccccc3)c2c1[2H]
• InChI: InChI=1S/C54H35N3/c1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-51-29-14-10-23-45(51)47-34-38(31-33-52(47)57)56-50-28-13-9-22-44(50)46-32-30-39(35-53(46)56)55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55/h1-35H/i7D,8D,9D,10D,11D,12D,13D,14D,20D,21D,22D,23D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: CJGBOWBFLCTIIA-VMWITWQVSA-N
• XLogP: 14.31
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.03
LogP ≤ 5	14.31
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-(2,6-diphenylphenyl)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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole (CID 170518078) 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-(2,6-diphenylphenyl)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-(2,6-diphenylphenyl)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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3c([2H])c([2H])c4c(c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n4-c3c(-c4ccccc4)cccc3-c3ccccc3)c2c1[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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole?

The InChIKey is CJGBOWBFLCTIIA-VMWITWQVSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-51-29-14-10-23-45(51)47-34-38(31-33-52(47)57)56-50-28-13-9-22-44(50)46-32-30-39(35-53(46)56)55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55/h1-35H/i7D,8D,9D,10D,11D,12D,13D,14D,20D,21D,22D,23D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D.

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-(2,6-diphenylphenyl)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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole has a molecular weight of 748.03 g/mol, XLogP of 14.31, 5 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-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170518078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).