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

C48H30N2O — CID 176854196

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 176854196) has the molecular formula C48H30N2O and a molecular weight of 670.90 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 176854196
• Molecular Formula: C48H30N2O
• Molecular Weight: 670.90 g/mol
• Exact Mass: 670.36
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: [2H]c1cccc(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c(-n5c6cc([2H])c([2H])c([2H])c6c6c([2H])c(-c7c([2H])c([2H])c8c(c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7n8-c7ccccc7)cc([2H])c65)c4c23)c1[2H]
• InChI: InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-19-11-23-45-47(35)48-44(22-12-24-46(48)51-45)50-41-21-10-8-18-37(41)39-30-33(26-28-43(39)50)32-25-27-42-38(29-32)36-17-7-9-20-40(36)49(42)34-15-5-2-6-16-34/h1-30H/i3D,7D,8D,9D,10D,11D,12D,13D,17D,18D,19D,20D,22D,23D,24D,25D,27D,28D,29D,30D
• InChIKey: ARGZVLGFYGBWEW-FRXAMNQCSA-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	670.90
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole (CID 176854196) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole is [2H]c1cccc(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c(-n5c6cc([2H])c([2H])c([2H])c6c6c([2H])c(-c7c([2H])c([2H])c8c(c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7n8-c7ccccc7)cc([2H])c65)c4c23)c1[2H].

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

The InChIKey is ARGZVLGFYGBWEW-FRXAMNQCSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-19-11-23-45-47(35)48-44(22-12-24-46(48)51-45)50-41-21-10-8-18-37(41)39-30-33(26-28-43(39)50)32-25-27-42-38(29-32)36-17-7-9-20-40(36)49(42)34-15-5-2-6-16-34/h1-30H/i3D,7D,8D,9D,10D,11D,12D,13D,17D,18D,19D,20D,22D,23D,24D,25D,27D,28D,29D,30D.

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 670.90 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 1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 176854196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).