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

C52H34N2O — CID 176609207

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

1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine (PubChem CID 176609207) has the molecular formula C52H34N2O and a molecular weight of 737.06 g/mol. Its IUPAC name is 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine
• PubChem CID: 176609207
• Molecular Formula: C52H34N2O
• Molecular Weight: 737.06 g/mol
• Exact Mass: 736.48
• IUPAC Name: 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine
• SMILES: [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c2[2H])c2c([2H])c([2H])c3c(oc4c([2H])c([2H])c([2H])c([2H])c43)c2-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C52H34N2O/c1-2-15-38(16-3-1)53(39-29-25-36(26-30-39)42-21-12-14-35-13-4-5-17-41(35)42)49-34-33-46-45-20-8-11-24-50(45)55-52(46)51(49)37-27-31-40(32-28-37)54-47-22-9-6-18-43(47)44-19-7-10-23-48(44)54/h1-34H/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,33D,34D
• InChIKey: LQRNQSRJYBOYBK-DZILRNTESA-N
• XLogP: 14.64
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.06
LogP ≤ 5	14.64
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)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine?

The IUPAC name of 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine (CID 176609207) is 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine.

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

The canonical SMILES for 1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c2[2H])c2c([2H])c([2H])c3c(oc4c([2H])c([2H])c([2H])c([2H])c43)c2-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)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)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine?

The InChIKey is LQRNQSRJYBOYBK-DZILRNTESA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-15-38(16-3-1)53(39-29-25-36(26-30-39)42-21-12-14-35-13-4-5-17-41(35)42)49-34-33-46-45-20-8-11-24-50(45)55-52(46)51(49)37-27-31-40(32-28-37)54-47-22-9-6-18-43(47)44-19-7-10-23-48(44)54/h1-34H/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,33D,34D.

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

1,2,6,7,8,9-hexadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 737.06 g/mol, XLogP of 14.64, 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)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 176609207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).