1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole

C48H30N2O — CID 176854251

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

1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole (PubChem CID 176854251) has the molecular formula C48H30N2O and a molecular weight of 672.92 g/mol. Its IUPAC name is 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole
• PubChem CID: 176854251
• Molecular Formula: C48H30N2O
• Molecular Weight: 672.92 g/mol
• Exact Mass: 672.37
• IUPAC Name: 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole
• SMILES: [2H]c1cc(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-n5c6cc([2H])c(-c7c([2H])c([2H])c([2H])c8c7c7cc([2H])c([2H])c([2H])c7n8-c7ccccc7)c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c([2H])c([2H])c4c23)c([2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-20-12-24-45-48(35)39-27-26-34(30-46(39)51-45)50-41-21-9-7-17-37(41)40-29-32(25-28-43(40)50)36-19-11-23-44-47(36)38-18-8-10-22-42(38)49(44)33-15-5-2-6-16-33/h1-30H/i1D,3D,4D,7D,8D,9D,10D,11D,12D,13D,17D,19D,20D,21D,22D,23D,24D,25D,26D,27D,29D,30D
• InChIKey: YWSZDVOIMAEDIL-HXJSINDTSA-N
• XLogP: 13.11
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.92
LogP ≤ 5	13.11
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-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole?

The IUPAC name of 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole (CID 176854251) is 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole is [2H]c1cc(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-n5c6cc([2H])c(-c7c([2H])c([2H])c([2H])c8c7c7cc([2H])c([2H])c([2H])c7n8-c7ccccc7)c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c([2H])c([2H])c4c23)c([2H])c([2H])c1[2H].

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

The InChIKey is YWSZDVOIMAEDIL-HXJSINDTSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-20-12-24-45-48(35)39-27-26-34(30-46(39)51-45)50-41-21-9-7-17-37(41)40-29-32(25-28-43(40)50)36-19-11-23-44-47(36)38-18-8-10-22-42(38)49(44)33-15-5-2-6-16-33/h1-30H/i1D,3D,4D,7D,8D,9D,10D,11D,12D,13D,17D,19D,20D,21D,22D,23D,24D,25D,26D,27D,29D,30D.

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

1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole has a molecular weight of 672.92 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 176854251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).