N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine

C62H43N — CID 164783522

About N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine

N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine (PubChem CID 164783522) has the molecular formula C62H43N and a molecular weight of 821.15 g/mol. Its IUPAC name is N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
• PubChem CID: 164783522
• Molecular Formula: C62H43N
• Molecular Weight: 821.15 g/mol
• Exact Mass: 820.46
• IUPAC Name: N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
• SMILES: [2H]c1cc(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4-5)cc32)c([2H])c([2H])c1[2H]
• InChI: InChI=1S/C62H43N/c1-6-20-44(21-7-1)45-34-36-50(37-35-45)63(51-38-40-55-53-30-16-18-32-57(53)61(59(55)42-51,46-22-8-2-9-23-46)47-24-10-3-11-25-47)52-39-41-56-54-31-17-19-33-58(54)62(60(56)43-52,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-43H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,22D,23D,24D,25D,26D,27D,28D
• InChIKey: QUPSWZDKAHFDQB-UYNKSQEPSA-N
• XLogP: 15.55
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.15
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine?

The IUPAC name of N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine (CID 164783522) is N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine.

What is the SMILES notation for N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine?

The canonical SMILES for N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine is [2H]c1cc(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4-5)cc32)c([2H])c([2H])c1[2H].

What is the InChIKey of N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine?

The InChIKey is QUPSWZDKAHFDQB-UYNKSQEPSA-N. The full InChI is InChI=1S/C62H43N/c1-6-20-44(21-7-1)45-34-36-50(37-35-45)63(51-38-40-55-53-30-16-18-32-57(53)61(59(55)42-51,46-22-8-2-9-23-46)47-24-10-3-11-25-47)52-39-41-56-54-31-17-19-33-58(54)62(60(56)43-52,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-43H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,22D,23D,24D,25D,26D,27D,28D.

What are the key properties of N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine?

N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine has a molecular weight of 821.15 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine is sourced from PubChem (CID 164783522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).