5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline

C50H35N — CID 59183787

About 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline

5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline (PubChem CID 59183787) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline.

Molecular Properties

• Compound Name: 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline
• PubChem CID: 59183787
• Molecular Formula: C50H35N
• Molecular Weight: 649.84 g/mol
• Exact Mass: 649.28
• IUPAC Name: 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccncc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc34)cc21
• InChI: InChI=1S/C50H35N/c1-50(2)46-15-9-8-14-40(46)41-24-23-39(30-47(41)50)48-43-26-27-51-31-45(43)49(38-21-20-33-12-6-7-13-36(33)28-38)42-25-22-37(29-44(42)48)35-18-16-34(17-19-35)32-10-4-3-5-11-32/h3-31H,1-2H3
• InChIKey: ZEHKADPMGJJKAF-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.84
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline?

The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline (CID 59183787) is 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline.

What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline?

The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline is CC1(C)c2ccccc2-c2ccc(-c3c4ccncc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc34)cc21.

What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline?

The InChIKey is ZEHKADPMGJJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-50(2)46-15-9-8-14-40(46)41-24-23-39(30-47(41)50)48-43-26-27-51-31-45(43)49(38-21-20-33-12-6-7-13-36(33)28-38)42-25-22-37(29-44(42)48)35-18-16-34(17-19-35)32-10-4-3-5-11-32/h3-31H,1-2H3.

What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline?

5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline has a molecular weight of 649.84 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline is sourced from PubChem (CID 59183787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).