2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)

C104H80 — CID 160627919

IUPAC2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
SMILESCc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/4C26H20/c2*1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h4*2-18H,1H3
InChIKeyRHNWDJVERWJIAP-UHFFFAOYSA-N
MW1329.78 g/mol
LogP25.43
Rot. Bonds8

About 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)

2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene) (PubChem CID 160627919) has the molecular formula C104H80 and a molecular weight of 1329.78 g/mol. Its IUPAC name is 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene).

Molecular Properties

Compound Name2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
PubChem CID160627919
Molecular FormulaC104H80
Molecular Weight1329.78 g/mol
Exact Mass1328.63
IUPAC Name2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
SMILESCc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/4C26H20/c2*1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h4*2-18H,1H3
InChIKeyRHNWDJVERWJIAP-UHFFFAOYSA-N
XLogP25.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.78
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
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
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;3-methyl-5,11-diphenylindolo[3,2-b]carbazole;2-methyl-9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];4'-methyl-9,9'-spirobi[fluorene]
CID 157438705
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)?
The IUPAC name of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene) (CID 160627919) is 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene).
What is the SMILES notation for 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)?
The canonical SMILES for 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene) is Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)?
The InChIKey is RHNWDJVERWJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H20/c2*1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h4*2-18H,1H3.
What are the key properties of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)?
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene) has a molecular weight of 1329.78 g/mol, XLogP of 25.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene) is sourced from PubChem (CID 160627919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).