2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran

C62H44O — CID 59136781

About 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran

2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran (PubChem CID 59136781) has the molecular formula C62H44O and a molecular weight of 805.03 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
• PubChem CID: 59136781
• Molecular Formula: C62H44O
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.34
• IUPAC Name: 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
• SMILES: CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(C(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21
• InChI: InChI=1S/C62H44O/c1-62(2)57-38-49(48-32-35-60-56(37-48)55-19-8-9-21-59(55)63-60)30-33-53(57)54-34-31-50(39-58(54)62)61(45-28-24-43(25-29-45)52-20-11-15-42-14-6-7-18-51(42)52)44-26-22-41(23-27-44)47-17-10-16-46(36-47)40-12-4-3-5-13-40/h3-39,61H,1-2H3
• InChIKey: ZJWVLQCSEZVKID-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.03
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran?

The IUPAC name of 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran (CID 59136781) is 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran.

What is the SMILES notation for 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran?

The canonical SMILES for 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(C(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.

What is the InChIKey of 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran?

The InChIKey is ZJWVLQCSEZVKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44O/c1-62(2)57-38-49(48-32-35-60-56(37-48)55-19-8-9-21-59(55)63-60)30-33-53(57)54-34-31-50(39-58(54)62)61(45-28-24-43(25-29-45)52-20-11-15-42-14-6-7-18-51(42)52)44-26-22-41(23-27-44)47-17-10-16-46(36-47)40-12-4-3-5-13-40/h3-39,61H,1-2H3.

What are the key properties of 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran?

2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran has a molecular weight of 805.03 g/mol, XLogP of 16.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran is sourced from PubChem (CID 59136781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).