bis(9,9'-spirobi[fluorene]-4'-yl)methanone

C51H30O — CID 90059622

IUPACbis(9,9'-spirobi[fluorene]-4'-yl)methanone
SMILESO=C(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C51H30O/c52-49(37-21-13-29-45-47(37)35-19-5-11-27-43(35)50(45)39-23-7-1-15-31(39)32-16-2-8-24-40(32)50)38-22-14-30-46-48(38)36-20-6-12-28-44(36)51(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)51/h1-30H
InChIKeyFKPYXOKYJCQQEN-UHFFFAOYSA-N
MW658.80 g/mol
LogP11.60
Rot. Bonds2

About bis(9,9'-spirobi[fluorene]-4'-yl)methanone

bis(9,9'-spirobi[fluorene]-4'-yl)methanone (PubChem CID 90059622) has the molecular formula C51H30O and a molecular weight of 658.80 g/mol. Its IUPAC name is bis(9,9'-spirobi[fluorene]-4'-yl)methanone.

Molecular Properties

Compound Namebis(9,9'-spirobi[fluorene]-4'-yl)methanone
PubChem CID90059622
Molecular FormulaC51H30O
Molecular Weight658.80 g/mol
Exact Mass658.23
IUPAC Namebis(9,9'-spirobi[fluorene]-4'-yl)methanone
SMILESO=C(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C51H30O/c52-49(37-21-13-29-45-47(37)35-19-5-11-27-43(35)50(45)39-23-7-1-15-31(39)32-16-2-8-24-40(32)50)38-22-14-30-46-48(38)36-20-6-12-28-44(36)51(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)51/h1-30H
InChIKeyFKPYXOKYJCQQEN-UHFFFAOYSA-N
XLogP11.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 102532137
CID 102532137
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 162245318
1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane
CID 142504823
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
bis[1-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-yl]methanone
CID 141191216
(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
CID 122627133
9,9-diphenylfluorene-1-carboxylic acid
CID 140854429
3-[9,9-bis(2-methylphenyl)fluoren-4-yl]but-3-enenitrile
CID 161443765
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
9,9-bis(4-amino-3,5-diethylphenyl)fluorene-4-carboxylic acid
CID 139612538

Frequently Asked Questions

What is the IUPAC name of bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
The IUPAC name of bis(9,9'-spirobi[fluorene]-4'-yl)methanone (CID 90059622) is bis(9,9'-spirobi[fluorene]-4'-yl)methanone.
What is the SMILES notation for bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
The canonical SMILES for bis(9,9'-spirobi[fluorene]-4'-yl)methanone is O=C(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
The InChIKey is FKPYXOKYJCQQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O/c52-49(37-21-13-29-45-47(37)35-19-5-11-27-43(35)50(45)39-23-7-1-15-31(39)32-16-2-8-24-40(32)50)38-22-14-30-46-48(38)36-20-6-12-28-44(36)51(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)51/h1-30H.
What are the key properties of bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
bis(9,9'-spirobi[fluorene]-4'-yl)methanone has a molecular weight of 658.80 g/mol, XLogP of 11.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9'-spirobi[fluorene]-4'-yl)methanone is sourced from PubChem (CID 90059622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).