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

C44H31N — CID 59183244

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

5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline (PubChem CID 59183244) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline.

Molecular Properties

• Compound Name: 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline
• PubChem CID: 59183244
• Molecular Formula: C44H31N
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.25
• IUPAC Name: 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccncc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)cc21
• InChI: InChI=1S/C44H31N/c1-44(2)40-15-9-8-14-34(40)35-20-19-33(26-41(35)44)42-37-22-23-45-27-39(37)43(32-17-16-29-12-6-7-13-30(29)24-32)36-21-18-31(25-38(36)42)28-10-4-3-5-11-28/h3-27H,1-2H3
• InChIKey: HFASDBWFJDTZGZ-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	11.85
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-phenylbenzo[g]isoquinoline?

The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline (CID 59183244) is 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline.

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

The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline is CC1(C)c2ccccc2-c2ccc(-c3c4ccncc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)cc21.

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

The InChIKey is HFASDBWFJDTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-44(2)40-15-9-8-14-34(40)35-20-19-33(26-41(35)44)42-37-22-23-45-27-39(37)43(32-17-16-29-12-6-7-13-30(29)24-32)36-21-18-31(25-38(36)42)28-10-4-3-5-11-28/h3-27H,1-2H3.

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

5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline has a molecular weight of 573.74 g/mol, XLogP of 11.85, 3 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-phenylbenzo[g]isoquinoline is sourced from PubChem (CID 59183244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).