2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])

C78H54 — CID 158761183

IUPAC2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/3C26H18/c2*1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26/h3*2-16H,1H3
InChIKeyIOROJNCHRCKOKC-UHFFFAOYSA-N
MW991.29 g/mol
LogP19.02
Rot. Bonds

About 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])

2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]) (PubChem CID 158761183) has the molecular formula C78H54 and a molecular weight of 991.29 g/mol. Its IUPAC name is 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]).

Molecular Properties

Compound Name2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
PubChem CID158761183
Molecular FormulaC78H54
Molecular Weight991.29 g/mol
Exact Mass990.42
IUPAC Name2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/3C26H18/c2*1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26/h3*2-16H,1H3
InChIKeyIOROJNCHRCKOKC-UHFFFAOYSA-N
XLogP19.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]) with MolForge

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Related Compounds

9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
CID 134550597
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])?
The IUPAC name of 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]) (CID 158761183) is 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]).
What is the SMILES notation for 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])?
The canonical SMILES for 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]) is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])?
The InChIKey is IOROJNCHRCKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H18/c2*1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26/h3*2-16H,1H3.
What are the key properties of 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])?
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]) has a molecular weight of 991.29 g/mol, XLogP of 19.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene]) is sourced from PubChem (CID 158761183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).