1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C54H34N2O — CID 176854253

About 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 176854253) has the molecular formula C54H34N2O and a molecular weight of 750.02 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
• PubChem CID: 176854253
• Molecular Formula: C54H34N2O
• Molecular Weight: 750.02 g/mol
• Exact Mass: 749.41
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
• SMILES: [2H]c1cc2c(c([2H])c1-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccc(-c3ccccc3)cc1)c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c(oc3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C54H34N2O/c1-3-11-35(12-4-1)37-19-24-41(25-20-37)55-49-17-9-7-15-43(49)45-31-39(21-27-51(45)55)40-22-28-52-46(32-40)44-16-8-10-18-50(44)56(52)42-26-30-54-48(34-42)47-33-38(23-29-53(47)57-54)36-13-5-2-6-14-36/h1-34H/i2D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,21D,22D,23D,26D,27D,29D,30D,31D,32D,33D
• InChIKey: BHAUMHQIZZGYJO-DPFWOCTQSA-N
• XLogP: 14.78
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.02
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 176854253) is 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is [2H]c1cc2c(c([2H])c1-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccc(-c3ccccc3)cc1)c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c(oc3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c32)c([2H])c1[2H].

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

The InChIKey is BHAUMHQIZZGYJO-DPFWOCTQSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-11-35(12-4-1)37-19-24-41(25-20-37)55-49-17-9-7-15-43(49)45-31-39(21-27-51(45)55)40-22-28-52-46(32-40)44-16-8-10-18-50(44)56(52)42-26-30-54-48(34-42)47-33-38(23-29-53(47)57-54)36-13-5-2-6-14-36/h1-34H/i2D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,21D,22D,23D,26D,27D,29D,30D,31D,32D,33D.

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

1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 750.02 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-[2,4,5,6,7,8-hexadeuterio-9-[3,4,6,7,9-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 176854253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).