N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine

C41H31N — CID 171451041

About N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine

N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 171451041) has the molecular formula C41H31N and a molecular weight of 548.77 g/mol. Its IUPAC name is N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine
• PubChem CID: 171451041
• Molecular Formula: C41H31N
• Molecular Weight: 548.77 g/mol
• Exact Mass: 548.31
• IUPAC Name: N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine
• SMILES: [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H]
• InChI: InChI=1S/C41H31N/c1-41(2)38-19-8-7-18-36(38)37-24-23-34(27-39(37)41)42(40-20-10-14-29-12-5-6-17-35(29)40)33-16-9-15-31(26-33)32-22-21-28-11-3-4-13-30(28)25-32/h3-27H,1-2H3/i5D,6D,9D,10D,12D,14D,15D,16D,17D,20D,26D
• InChIKey: MZXLTQRXSDHAJT-AUKKMTNDSA-N
• XLogP: 11.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.77
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine?

The IUPAC name of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine (CID 171451041) is N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H].

What is the InChIKey of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine?

The InChIKey is MZXLTQRXSDHAJT-AUKKMTNDSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)38-19-8-7-18-36(38)37-24-23-34(27-39(37)41)42(40-20-10-14-29-12-5-6-17-35(29)40)33-16-9-15-31(26-33)32-22-21-28-11-3-4-13-30(28)25-32/h3-27H,1-2H3/i5D,6D,9D,10D,12D,14D,15D,16D,17D,20D,26D.

What are the key properties of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine?

N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 548.77 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171451041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).