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

C62H44O — CID 59136691

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

2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (PubChem CID 59136691) has the molecular formula C62H44O and a molecular weight of 805.03 g/mol. Its IUPAC name is 2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
• PubChem CID: 59136691
• Molecular Formula: C62H44O
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.34
• IUPAC Name: 2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc21
• InChI: InChI=1S/C62H44O/c1-62(2)57-38-50(48-28-25-41-13-6-7-14-46(41)35-48)29-32-53(57)54-33-30-52(39-58(54)62)61(45-26-23-44(24-27-45)43-21-19-42(20-22-43)40-11-4-3-5-12-40)51-16-10-15-47(36-51)49-31-34-60-56(37-49)55-17-8-9-18-59(55)63-60/h3-39,61H,1-2H3
• InChIKey: VCRIKQWCBMKYEX-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-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?

The IUPAC name of 2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (CID 59136691) is 2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.

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

The canonical SMILES for 2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc21.

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

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

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

2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]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-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).