9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene

C66H60 — CID 142541100

IUPAC9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
SMILESCc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c(-c2ccccc2)cccc1-3
InChIInChI=1S/C31H28.C22H20.C13H12/c1-19-14-15-22-24-17-28-25(18-27(24)30(2,3)26(22)16-19)23-13-9-12-21(29(23)31(28,4)5)20-10-7-6-8-11-20;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h6-18H,1-5H3;4-14H,1-3H3;2-10H,1H3
InChIKeyOJXLJSJKXYSFAN-UHFFFAOYSA-N
MW853.21 g/mol
LogP17.90
Rot. Bonds3

About 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene

9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene (PubChem CID 142541100) has the molecular formula C66H60 and a molecular weight of 853.21 g/mol. Its IUPAC name is 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
PubChem CID142541100
Molecular FormulaC66H60
Molecular Weight853.21 g/mol
Exact Mass852.47
IUPAC Name9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
SMILESCc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c(-c2ccccc2)cccc1-3
InChIInChI=1S/C31H28.C22H20.C13H12/c1-19-14-15-22-24-17-28-25(18-27(24)30(2,3)26(22)16-19)23-13-9-12-21(29(23)31(28,4)5)20-10-7-6-8-11-20;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h6-18H,1-5H3;4-14H,1-3H3;2-10H,1H3
InChIKeyOJXLJSJKXYSFAN-UHFFFAOYSA-N
XLogP17.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.21
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene?
The IUPAC name of 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene (CID 142541100) is 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene?
The canonical SMILES for 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene is Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c(-c2ccccc2)cccc1-3.
What is the InChIKey of 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene?
The InChIKey is OJXLJSJKXYSFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28.C22H20.C13H12/c1-19-14-15-22-24-17-28-25(18-27(24)30(2,3)26(22)16-19)23-13-9-12-21(29(23)31(28,4)5)20-10-7-6-8-11-20;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h6-18H,1-5H3;4-14H,1-3H3;2-10H,1H3.
What are the key properties of 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene?
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene has a molecular weight of 853.21 g/mol, XLogP of 17.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene is sourced from PubChem (CID 142541100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).