9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine

C62H43NO — CID 164769107

About 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine

9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine (PubChem CID 164769107) has the molecular formula C62H43NO and a molecular weight of 833.12 g/mol. Its IUPAC name is 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine
• PubChem CID: 164769107
• Molecular Formula: C62H43NO
• Molecular Weight: 833.12 g/mol
• Exact Mass: 832.43
• IUPAC Name: 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(C2(c3ccc(-c4c([2H])c([2H])c([2H])c5c4oc4c([2H])c([2H])c([2H])c([2H])c45)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)ccc3-c3ccc(C([2H])([2H])[2H])cc32)c([2H])c1[2H]
• InChI: InChI=1S/C62H43NO/c1-42-27-37-54-55-38-36-52(63(50-34-30-45(31-35-50)43-15-5-2-6-16-43)51-22-13-19-47(40-51)44-17-7-3-8-18-44)41-59(55)62(58(54)39-42,48-20-9-4-10-21-48)49-32-28-46(29-33-49)53-24-14-25-57-56-23-11-12-26-60(56)64-61(53)57/h2-41H,1H3/i1D3,4D,9D,10D,11D,12D,14D,20D,21D,23D,24D,25D,26D
• InChIKey: UPWFQUWHRCCJNW-KXWIBPNHSA-N
• XLogP: 16.73
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.12
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine?

The IUPAC name of 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine (CID 164769107) is 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine?

The canonical SMILES for 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(C2(c3ccc(-c4c([2H])c([2H])c([2H])c5c4oc4c([2H])c([2H])c([2H])c([2H])c45)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)ccc3-c3ccc(C([2H])([2H])[2H])cc32)c([2H])c1[2H].

What is the InChIKey of 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine?

The InChIKey is UPWFQUWHRCCJNW-KXWIBPNHSA-N. The full InChI is InChI=1S/C62H43NO/c1-42-27-37-54-55-38-36-52(63(50-34-30-45(31-35-50)43-15-5-2-6-16-43)51-22-13-19-47(40-51)44-17-7-3-8-18-44)41-59(55)62(58(54)39-42,48-20-9-4-10-21-48)49-32-28-46(29-33-49)53-24-14-25-57-56-23-11-12-26-60(56)64-61(53)57/h2-41H,1H3/i1D3,4D,9D,10D,11D,12D,14D,20D,21D,23D,24D,25D,26D.

What are the key properties of 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine?

9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine has a molecular weight of 833.12 g/mol, XLogP of 16.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine is sourced from PubChem (CID 164769107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).