7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine

C57H44N2 — CID 155419612

About 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine

7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 155419612) has the molecular formula C57H44N2 and a molecular weight of 756.99 g/mol. Its IUPAC name is 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

• Compound Name: 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine
• PubChem CID: 155419612
• Molecular Formula: C57H44N2
• Molecular Weight: 756.99 g/mol
• Exact Mass: 756.35
• IUPAC Name: 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine
• SMILES: C1=Cc2c(cccc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc5ccccc45)C4CC=CCC4)ccc2-3)CC1
• InChI: InChI=1S/C57H44N2/c1-3-21-41(22-4-1)58(55-31-15-19-39-17-7-9-25-45(39)55)43-33-35-49-50-36-34-44(59(42-23-5-2-6-24-42)56-32-16-20-40-18-8-10-26-46(40)56)38-54(50)57(53(49)37-43)51-29-13-11-27-47(51)48-28-12-14-30-52(48)57/h1-5,8-16,18-22,25-38,42H,6-7,17,23-24H2
• InChIKey: AEPGNDXYCJOSIS-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.99
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine?

The IUPAC name of 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine (CID 155419612) is 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine.

What is the SMILES notation for 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine?

The canonical SMILES for 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine is C1=Cc2c(cccc2N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc5ccccc45)C4CC=CCC4)ccc2-3)CC1.

What is the InChIKey of 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine?

The InChIKey is AEPGNDXYCJOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N2/c1-3-21-41(22-4-1)58(55-31-15-19-39-17-7-9-25-45(39)55)43-33-35-49-50-36-34-44(59(42-23-5-2-6-24-42)56-32-16-20-40-18-8-10-26-46(40)56)38-54(50)57(53(49)37-43)51-29-13-11-27-47(51)48-28-12-14-30-52(48)57/h1-5,8-16,18-22,25-38,42H,6-7,17,23-24H2.

What are the key properties of 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine?

7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 756.99 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 155419612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).