1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine

C57H42N2 — CID 165384050

About 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine

1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine (PubChem CID 165384050) has the molecular formula C57H42N2 and a molecular weight of 785.16 g/mol. Its IUPAC name is 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine
• PubChem CID: 165384050
• Molecular Formula: C57H42N2
• Molecular Weight: 785.16 g/mol
• Exact Mass: 784.52
• IUPAC Name: 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)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(c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c3c([2H])c([2H])c4c(c3[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c3c([2H])c([2H])c([2H])c([2H])c3-4)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/i1D3,2D3,3D,5D,6D,9D,10D,11D,13D,15D,16D,17D,18D,21D,22D,23D,24D,26D,28D,29D,31D,32D,33D,34D,36D,38D
• InChIKey: PVQHPWJRTPZAGN-QJVNKQDCSA-N
• XLogP: 15.56
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.16
LogP ≤ 5	15.56
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-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine?

The IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine (CID 165384050) is 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine.

What is the SMILES notation for 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine?

The canonical SMILES for 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)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(c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c3c([2H])c([2H])c4c(c3[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c3c([2H])c([2H])c([2H])c([2H])c3-4)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine?

The InChIKey is PVQHPWJRTPZAGN-QJVNKQDCSA-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/i1D3,2D3,3D,5D,6D,9D,10D,11D,13D,15D,16D,17D,18D,21D,22D,23D,24D,26D,28D,29D,31D,32D,33D,34D,36D,38D.

What are the key properties of 1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine?

1,3,4,5,6,7,8-heptadeuterio-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine has a molecular weight of 785.16 g/mol, XLogP of 15.56, 9 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-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]-9,9-bis(trideuteriomethyl)fluoren-2-amine is sourced from PubChem (CID 165384050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).