2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

C74H50N2 — CID 168791267

About 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791267) has the molecular formula C74H50N2 and a molecular weight of 972.26 g/mol. Its IUPAC name is 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 168791267
• Molecular Formula: C74H50N2
• Molecular Weight: 972.26 g/mol
• Exact Mass: 971.43
• IUPAC Name: 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c([2H])c1[2H]
• InChI: InChI=1S/C74H50N2/c1-6-23-51(24-7-1)52-41-43-57(44-42-52)76(71-40-22-39-68-72(71)64-35-18-21-38-67(64)73(68,53-25-8-2-9-26-53)54-27-10-3-11-28-54)59-46-48-63-61-34-17-20-37-66(61)74(70(63)50-59)65-36-19-16-33-60(65)62-47-45-58(49-69(62)74)75(55-29-12-4-13-30-55)56-31-14-5-15-32-56/h1-50H/i1D,6D,7D,23D,24D
• InChIKey: HETGGUONCLDRLA-JAELQNSBSA-N
• XLogP: 19.00
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.26
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791267) is 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

What is the SMILES notation for 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The canonical SMILES for 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c([2H])c1[2H].

What is the InChIKey of 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is HETGGUONCLDRLA-JAELQNSBSA-N. The full InChI is InChI=1S/C74H50N2/c1-6-23-51(24-7-1)52-41-43-57(44-42-52)76(71-40-22-39-68-72(71)64-35-18-21-38-67(64)73(68,53-25-8-2-9-26-53)54-27-10-3-11-28-54)59-46-48-63-61-34-17-20-37-66(61)74(70(63)50-59)65-36-19-16-33-60(65)62-47-45-58(49-69(62)74)75(55-29-12-4-13-30-55)56-31-14-5-15-32-56/h1-50H/i1D,6D,7D,23D,24D.

What are the key properties of 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 972.26 g/mol, XLogP of 19.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).