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

C62H44O — CID 59136756

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

3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran (PubChem CID 59136756) has the molecular formula C62H44O and a molecular weight of 805.03 g/mol. Its IUPAC name is 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
• PubChem CID: 59136756
• Molecular Formula: C62H44O
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.34
• IUPAC Name: 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21
• InChI: InChI=1S/C62H44O/c1-62(2)57-37-48(49-32-36-56-55-16-8-9-18-59(55)63-60(56)39-49)31-34-53(57)54-35-33-50(38-58(54)62)61(47-29-25-45(26-30-47)52-17-10-14-44-13-6-7-15-51(44)52)46-27-23-43(24-28-46)42-21-19-41(20-22-42)40-11-4-3-5-12-40/h3-39,61H,1-2H3
• InChIKey: VEWSTPVTMIOZQT-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 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran?

The IUPAC name of 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran (CID 59136756) is 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran.

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

The canonical SMILES for 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran is CC1(C)c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.

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

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

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

3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-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 3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran is sourced from PubChem (CID 59136756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).