1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

C48H32N2O — CID 176608995

About 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (PubChem CID 176608995) has the molecular formula C48H32N2O and a molecular weight of 684.99 g/mol. Its IUPAC name is 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
• PubChem CID: 176608995
• Molecular Formula: C48H32N2O
• Molecular Weight: 684.99 g/mol
• Exact Mass: 684.45
• IUPAC Name: 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c3-c3c([2H])c([2H])c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H32N2O/c1-3-14-33(15-4-1)34-26-28-37(29-27-34)49(36-17-5-2-6-18-36)45-31-30-42-41-22-9-12-25-46(41)51-48(42)47(45)35-16-13-19-38(32-35)50-43-23-10-7-20-39(43)40-21-8-11-24-44(40)50/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D
• InChIKey: QWEDRDAKACVJOA-YSXIVWSZSA-N
• XLogP: 13.49
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.99
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

The IUPAC name of 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (CID 176608995) is 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.

What is the SMILES notation for 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

The canonical SMILES for 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c3-c3c([2H])c([2H])c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

The InChIKey is QWEDRDAKACVJOA-YSXIVWSZSA-N. The full InChI is InChI=1S/C48H32N2O/c1-3-14-33(15-4-1)34-26-28-37(29-27-34)49(36-17-5-2-6-18-36)45-31-30-42-41-22-9-12-25-46(41)51-48(42)47(45)35-16-13-19-38(32-35)50-43-23-10-7-20-39(43)40-21-8-11-24-44(40)50/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D.

What are the key properties of 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 684.99 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 176608995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).