9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]

C67H50 — CID 159194629

IUPAC9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C25H18.C17H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17/h1-16H;1-18H;1-4,7-10H,5-6,11-12H2
InChIKeyKOMWRZLJQYOEGT-UHFFFAOYSA-N
MW855.14 g/mol
LogP16.61
Rot. Bonds2

About 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]

9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene] (PubChem CID 159194629) has the molecular formula C67H50 and a molecular weight of 855.14 g/mol. Its IUPAC name is 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]
PubChem CID159194629
Molecular FormulaC67H50
Molecular Weight855.14 g/mol
Exact Mass854.39
IUPAC Name9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C25H18.C17H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17/h1-16H;1-18H;1-4,7-10H,5-6,11-12H2
InChIKeyKOMWRZLJQYOEGT-UHFFFAOYSA-N
XLogP16.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]
CID 160656116
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
9,9-diphenyl-N-(2-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 153470826
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane
CID 163641470
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene] (CID 159194629) is 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene] is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]?
The InChIKey is KOMWRZLJQYOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C25H18.C17H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17/h1-16H;1-18H;1-4,7-10H,5-6,11-12H2.
What are the key properties of 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]?
9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 855.14 g/mol, XLogP of 16.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 159194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).