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

C75H54O — CID 59136907

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

4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran (PubChem CID 59136907) has the molecular formula C75H54O and a molecular weight of 971.26 g/mol. Its IUPAC name is 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran
• PubChem CID: 59136907
• Molecular Formula: C75H54O
• Molecular Weight: 971.26 g/mol
• Exact Mass: 970.42
• IUPAC Name: 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3cccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc21
• InChI: InChI=1S/C75H54O/c1-74(2)67-42-55(53-29-25-46-13-5-7-15-50(46)39-53)31-35-61(67)63-37-33-58(44-69(63)74)72(57-18-11-17-52(41-57)48-23-27-49(28-24-48)60-20-12-21-66-65-19-9-10-22-71(65)76-73(60)66)59-34-38-64-62-36-32-56(43-68(62)75(3,4)70(64)45-59)54-30-26-47-14-6-8-16-51(47)40-54/h5-45,72H,1-4H3
• InChIKey: GWFGLODRFQEJLO-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.26
LogP ≤ 5	20.35
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 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran?

The IUPAC name of 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran (CID 59136907) is 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran.

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

The canonical SMILES for 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3cccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc21.

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

The InChIKey is GWFGLODRFQEJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54O/c1-74(2)67-42-55(53-29-25-46-13-5-7-15-50(46)39-53)31-35-61(67)63-37-33-58(44-69(63)74)72(57-18-11-17-52(41-57)48-23-27-49(28-24-48)60-20-12-21-66-65-19-9-10-22-71(65)76-73(60)66)59-34-38-64-62-36-32-56(43-68(62)75(3,4)70(64)45-59)54-30-26-47-14-6-8-16-51(47)40-54/h5-45,72H,1-4H3.

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

4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 971.26 g/mol, XLogP of 20.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).