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

C54H34N2O — CID 176854242

About 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(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-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 176854242) has the molecular formula C54H34N2O and a molecular weight of 749.01 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(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-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 176854242
• Molecular Formula: C54H34N2O
• Molecular Weight: 749.01 g/mol
• Exact Mass: 748.41
• IUPAC Name: 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• SMILES: [2H]c1cc2c(oc3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c32)c(-n2c3cc([2H])c([2H])c([2H])c3c3c([2H])c(-c4cc5c(c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cccc(-c5ccccc5)c4)c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C54H34N2O/c1-3-14-35(15-4-1)37-18-11-19-40(32-37)55-47-24-9-7-20-42(47)44-30-28-39(34-51(44)55)38-29-31-49-46(33-38)43-21-8-10-25-48(43)56(49)50-26-12-23-45-53-41(36-16-5-2-6-17-36)22-13-27-52(53)57-54(45)50/h1-34H/i2D,5D,6D,7D,8D,9D,10D,12D,13D,16D,17D,20D,21D,22D,24D,26D,27D,28D,29D,30D,31D,33D
• InChIKey: OBPSXVMRKZPJFP-KWPYULNSSA-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	749.01
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-[2,3,6,7,8-pentadeuterio-9-(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-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 176854242) is 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(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-[2,3,6,7,8-pentadeuterio-9-(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-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is [2H]c1cc2c(oc3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c32)c(-n2c3cc([2H])c([2H])c([2H])c3c3c([2H])c(-c4cc5c(c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4cccc(-c5ccccc5)c4)c([2H])c([2H])c32)c1[2H].

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

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

What are the key properties of 1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(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-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 749.01 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-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 176854242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).