N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C73H47N — CID 138729354

About N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729354) has the molecular formula C73H47N and a molecular weight of 938.19 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729354
• Molecular Formula: C73H47N
• Molecular Weight: 938.19 g/mol
• Exact Mass: 937.37
• IUPAC Name: N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2cccc(-c3cc4c(cc3N(c3ccc5c6ccccc6c6ccccc6c5c3)c3ccc(-c5ccccc5)cc3-c3ccccc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
• InChI: InChI=1S/C73H47N/c1-4-21-48(22-5-1)51-27-20-28-53(43-51)64-46-66-62-35-16-19-38-69(62)73(67-36-17-14-33-60(67)61-34-15-18-37-68(61)73)70(66)47-72(64)74(71-42-39-52(49-23-6-2-7-24-49)44-63(71)50-25-8-3-9-26-50)54-40-41-59-57-31-11-10-29-55(57)56-30-12-13-32-58(56)65(59)45-54/h1-47H
• InChIKey: MKKMEICYXSUPAM-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.19
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729354) is N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2cccc(-c3cc4c(cc3N(c3ccc5c6ccccc6c6ccccc6c5c3)c3ccc(-c5ccccc5)cc3-c3ccccc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.

What is the InChIKey of N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is MKKMEICYXSUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N/c1-4-21-48(22-5-1)51-27-20-28-53(43-51)64-46-66-62-35-16-19-38-69(62)73(67-36-17-14-33-60(67)61-34-15-18-37-68(61)73)70(66)47-72(64)74(71-42-39-52(49-23-6-2-7-24-49)44-63(71)50-25-8-3-9-26-50)54-40-41-59-57-31-11-10-29-55(57)56-30-12-13-32-58(56)65(59)45-54/h1-47H.

What are the key properties of N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 938.19 g/mol, XLogP of 19.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).