10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran

C66H44O2 — CID 59136925

About 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran

10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 59136925) has the molecular formula C66H44O2 and a molecular weight of 869.08 g/mol. Its IUPAC name is 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 59136925
• Molecular Formula: C66H44O2
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.33
• IUPAC Name: 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C(c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)cc21
• InChI: InChI=1S/C66H44O2/c1-66(2)57-38-49(40-10-4-3-5-11-40)24-30-53(57)54-31-25-50(39-58(54)66)63(45-20-16-41(17-21-45)47-28-32-59-55(36-47)64-51-14-8-6-12-43(51)26-34-61(64)67-59)46-22-18-42(19-23-46)48-29-33-60-56(37-48)65-52-15-9-7-13-44(52)27-35-62(65)68-60/h3-39,63H,1-2H3
• InChIKey: NPSQQDYOEQWSTI-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.08
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran (CID 59136925) is 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C(c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)cc21.

What is the InChIKey of 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran?

The InChIKey is NPSQQDYOEQWSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44O2/c1-66(2)57-38-49(40-10-4-3-5-11-40)24-30-53(57)54-31-25-50(39-58(54)66)63(45-20-16-41(17-21-45)47-28-32-59-55(36-47)64-51-14-8-6-12-43(51)26-34-61(64)67-59)46-22-18-42(19-23-46)48-29-33-60-56(37-48)65-52-15-9-7-13-44(52)27-35-62(65)68-60/h3-39,63H,1-2H3.

What are the key properties of 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran?

10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 869.08 g/mol, XLogP of 18.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 59136925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).