9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene

C38H26O2 — CID 5257445

IUPAC9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene
SMILESc1ccc(C2(OOC3(c4ccccc4)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H26O2/c1-3-15-27(16-4-1)37(33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)39-40-38(28-17-5-2-6-18-28)35-25-13-9-21-31(35)32-22-10-14-26-36(32)38/h1-26H
InChIKeySIUHFQRCVOIJCS-UHFFFAOYSA-N
MW514.62 g/mol
LogP8.88
Rot. Bonds5

About 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene

9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene (PubChem CID 5257445) has the molecular formula C38H26O2 and a molecular weight of 514.62 g/mol. Its IUPAC name is 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene.

Molecular Properties

Compound Name9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene
PubChem CID5257445
Molecular FormulaC38H26O2
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC Name9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene
SMILESc1ccc(C2(OOC3(c4ccccc4)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H26O2/c1-3-15-27(16-4-1)37(33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)39-40-38(28-17-5-2-6-18-28)35-25-13-9-21-31(35)32-22-10-14-26-36(32)38/h1-26H
InChIKeySIUHFQRCVOIJCS-UHFFFAOYSA-N
XLogP8.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methoxymethane
CID 143139467
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one
CID 129105725
9,9-diphenylfluorene;propane
CID 158205050
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
9-(2-fluorophenyl)-9-phenylfluorene
CID 102442885
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene?
The IUPAC name of 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene (CID 5257445) is 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene.
What is the SMILES notation for 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene?
The canonical SMILES for 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene is c1ccc(C2(OOC3(c4ccccc4)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene?
The InChIKey is SIUHFQRCVOIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O2/c1-3-15-27(16-4-1)37(33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)39-40-38(28-17-5-2-6-18-28)35-25-13-9-21-31(35)32-22-10-14-26-36(32)38/h1-26H.
What are the key properties of 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene?
9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene has a molecular weight of 514.62 g/mol, XLogP of 8.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene is sourced from PubChem (CID 5257445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).