9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine

C51H38N2 — CID 165384236

About 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine (PubChem CID 165384236) has the molecular formula C51H38N2 and a molecular weight of 690.95 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
• PubChem CID: 165384236
• Molecular Formula: C51H38N2
• Molecular Weight: 690.95 g/mol
• Exact Mass: 690.38
• IUPAC Name: 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
• SMILES: [2H]c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H38N2/c1-51(2)46-25-12-9-23-42(46)43-30-29-40(34-47(43)51)52(48-26-13-10-22-41(48)35-16-5-3-6-17-35)39-21-15-18-36(32-39)37-28-31-50-45(33-37)44-24-11-14-27-49(44)53(50)38-19-7-4-8-20-38/h3-34H,1-2H3/i3D,5D,6D,10D,13D,15D,16D,17D,18D,21D,26D,32D
• InChIKey: FHXWSPWQODHFFD-RXHJTPBPSA-N
• XLogP: 13.89
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.95
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine (CID 165384236) is 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine is [2H]c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2[2H])c([2H])c1[2H].

What is the InChIKey of 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?

The InChIKey is FHXWSPWQODHFFD-RXHJTPBPSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)46-25-12-9-23-42(46)43-30-29-40(34-47(43)51)52(48-26-13-10-22-41(48)35-16-5-3-6-17-35)39-21-15-18-36(32-39)37-28-31-50-45(33-37)44-24-11-14-27-49(44)53(50)38-19-7-4-8-20-38/h3-34H,1-2H3/i3D,5D,6D,10D,13D,15D,16D,17D,18D,21D,26D,32D.

What are the key properties of 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine has a molecular weight of 690.95 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 165384236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).