7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine

C59H48N2 — CID 170122172

About 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine

7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine (PubChem CID 170122172) has the molecular formula C59H48N2 and a molecular weight of 785.05 g/mol. Its IUPAC name is 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
• PubChem CID: 170122172
• Molecular Formula: C59H48N2
• Molecular Weight: 785.05 g/mol
• Exact Mass: 784.38
• IUPAC Name: 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(C4CC=CCC4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C59H48N2/c1-59(2)55-39-49(60(57-25-13-21-45-19-9-11-23-51(45)57)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(55)54-38-36-50(40-56(54)59)61(58-26-14-22-46-20-10-12-24-52(46)58)48-33-29-44(30-34-48)42-17-7-4-8-18-42/h3-7,9-16,19-40,42H,8,17-18H2,1-2H3
• InChIKey: RDMGQIOCBUMWPR-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.05
LogP ≤ 5	16.73
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-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine?

The IUPAC name of 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine (CID 170122172) is 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine.

What is the SMILES notation for 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine?

The canonical SMILES for 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(C4CC=CCC4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine?

The InChIKey is RDMGQIOCBUMWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N2/c1-59(2)55-39-49(60(57-25-13-21-45-19-9-11-23-51(45)57)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(55)54-38-36-50(40-56(54)59)61(58-26-14-22-46-20-10-12-24-52(46)58)48-33-29-44(30-34-48)42-17-7-4-8-18-42/h3-7,9-16,19-40,42H,8,17-18H2,1-2H3.

What are the key properties of 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine?

7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine has a molecular weight of 785.05 g/mol, XLogP of 16.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 170122172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).