1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine

C55H40N2 — CID 167640154

About 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine

1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine (PubChem CID 167640154) has the molecular formula C55H40N2 and a molecular weight of 752.08 g/mol. Its IUPAC name is 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine
• PubChem CID: 167640154
• Molecular Formula: C55H40N2
• Molecular Weight: 752.08 g/mol
• Exact Mass: 751.46
• IUPAC Name: 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c([2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C)(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H]
• InChI: InChI=1S/C55H40N2/c1-55(2)49-23-11-8-21-45(49)46-33-32-42(36-50(46)55)56(51-24-12-9-20-43(51)38-15-4-3-5-16-38)41-30-27-37(28-31-41)40-29-34-54-48(35-40)47-22-10-13-25-53(47)57(54)52-26-14-18-39-17-6-7-19-44(39)52/h3-36H,1-2H3/i1D3,3D,4D,5D,8D,9D,11D,12D,15D,16D,20D,21D,23D,24D,27D,28D,30D,31D,32D,33D,36D
• InChIKey: JIPCMESVVCXYSF-KCVQUDCJSA-N
• XLogP: 15.05
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.08
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine (CID 167640154) is 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine.

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

The canonical SMILES for 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c([2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C)(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H].

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

The InChIKey is JIPCMESVVCXYSF-KCVQUDCJSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)49-23-11-8-21-45(49)46-33-32-42(36-50(46)55)56(51-24-12-9-20-43(51)38-15-4-3-5-16-38)41-30-27-37(28-31-41)40-29-34-54-48(35-40)47-22-10-13-25-53(47)57(54)52-26-14-18-39-17-6-7-19-44(39)52/h3-36H,1-2H3/i1D3,3D,4D,5D,8D,9D,11D,12D,15D,16D,20D,21D,23D,24D,27D,28D,30D,31D,32D,33D,36D.

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

1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine has a molecular weight of 752.08 g/mol, XLogP of 15.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-(trideuteriomethyl)fluoren-2-amine is sourced from PubChem (CID 167640154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).