2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene

C120H96 — CID 159806985

IUPAC2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/4C26H20.C16H16/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;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13/h4*2-18H,1H3;4-10H,1-3H3
InChIKeyNKNHRWCQAIJYJY-UHFFFAOYSA-N
MW1538.09 g/mol
LogP29.73
Rot. Bonds8

About 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene

2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene (PubChem CID 159806985) has the molecular formula C120H96 and a molecular weight of 1538.09 g/mol. Its IUPAC name is 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
PubChem CID159806985
Molecular FormulaC120H96
Molecular Weight1538.09 g/mol
Exact Mass1536.75
IUPAC Name2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/4C26H20.C16H16/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;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13/h4*2-18H,1H3;4-10H,1-3H3
InChIKeyNKNHRWCQAIJYJY-UHFFFAOYSA-N
XLogP29.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001538.09
LogP ≤ 529.73
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)
CID 160627919
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
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
9-methylcarbazole;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;toluene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160599586
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
1,8-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9,9-diphenylfluorene;1,4,9,9-tetramethylfluorene;1,5,9,9-tetramethylfluorene;1,7,9,9-tetramethylfluorene;1,8,9,9-tetramethylfluorene;2,5,9,9-tetramethylfluorene;4,5,9,9-tetramethylfluorene
CID 161209539
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160789918
4-methyl-9,9-diphenylfluorene
CID 123595050

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);1,9,9-trimethylfluorene?
The IUPAC name of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene (CID 159806985) is 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene.
What is the SMILES notation for 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene?
The canonical SMILES for 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene?
The InChIKey is NKNHRWCQAIJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H20.C16H16/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;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13/h4*2-18H,1H3;4-10H,1-3H3.
What are the key properties of 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene?
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene has a molecular weight of 1538.09 g/mol, XLogP of 29.73, 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);1,9,9-trimethylfluorene is sourced from PubChem (CID 159806985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).