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

C57H42N2 — CID 165384069

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

9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 165384069) has the molecular formula C57H42N2 and a molecular weight of 772.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 165384069
• Molecular Formula: C57H42N2
• Molecular Weight: 772.08 g/mol
• Exact Mass: 771.44
• IUPAC Name: 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C57H42N2/c1-57(2)53-26-13-11-24-49(53)50-34-33-46(38-54(50)57)58(44-31-28-40(29-32-44)48-23-10-9-22-47(48)39-16-5-3-6-17-39)45-21-15-18-41(36-45)42-30-35-56-52(37-42)51-25-12-14-27-55(51)59(56)43-19-7-4-8-20-43/h3-38H,1-2H3/i3D,5D,6D,9D,10D,15D,16D,17D,18D,21D,22D,23D,28D,29D,31D,32D,36D
• InChIKey: PVQHPWJRTPZAGN-RKHCBKLVSA-N
• XLogP: 15.56
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.08
LogP ≤ 5	15.56
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-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine (CID 165384069) is 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]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-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])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-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is PVQHPWJRTPZAGN-RKHCBKLVSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)53-26-13-11-24-49(53)50-34-33-46(38-54(50)57)58(44-31-28-40(29-32-44)48-23-10-9-22-47(48)39-16-5-3-6-17-39)45-21-15-18-41(36-45)42-30-35-56-52(37-42)51-25-12-14-27-55(51)59(56)43-19-7-4-8-20-43/h3-38H,1-2H3/i3D,5D,6D,9D,10D,15D,16D,17D,18D,21D,22D,23D,28D,29D,31D,32D,36D.

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

9,9-dimethyl-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 772.08 g/mol, XLogP of 15.56, 7 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-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 165384069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).