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

C54H34N2O — CID 176854189

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

1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 176854189) has the molecular formula C54H34N2O and a molecular weight of 750.02 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 176854189
• Molecular Formula: C54H34N2O
• Molecular Weight: 750.02 g/mol
• Exact Mass: 749.41
• IUPAC Name: 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• SMILES: [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c(-c3cc4c(c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n4-c3cccc(-c4ccccc4)c3)c([2H])c([2H])c1n2-c1c([2H])c([2H])c([2H])c2c1oc1c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c([2H])c12
• InChI: InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)37-17-11-18-41(31-37)55-48-22-9-7-19-42(48)44-28-25-39(33-52(44)55)38-27-30-50-47(32-38)43-20-8-10-23-49(43)56(50)51-24-12-21-46-45-29-26-40(34-53(45)57-54(46)51)36-15-5-2-6-16-36/h1-34H/i2D,5D,6D,7D,8D,9D,10D,12D,15D,16D,19D,20D,21D,22D,24D,25D,26D,27D,28D,29D,30D,32D,34D
• InChIKey: HJYOMVPPBGPZDO-KLVZEVRNSA-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 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?

The IUPAC name of 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 176854189) is 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

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

The canonical SMILES for 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c(-c3cc4c(c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n4-c3cccc(-c4ccccc4)c3)c([2H])c([2H])c1n2-c1c([2H])c([2H])c([2H])c2c1oc1c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c([2H])c12.

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

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

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

1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-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 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 176854189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).