9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone

C78H76O2 — CID 159463242

IUPAC9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1.CC1(C)c2ccccc2-c2ccccc21.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22.C22H18O2.C15H14.C14H22/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;7-10H,1-6H3
InChIKeyLUVVFVPVAJEWAA-UHFFFAOYSA-N
MW1045.46 g/mol
LogP19.71
Rot. Bonds6

About 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone

9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 159463242) has the molecular formula C78H76O2 and a molecular weight of 1045.46 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
PubChem CID159463242
Molecular FormulaC78H76O2
Molecular Weight1045.46 g/mol
Exact Mass1044.58
IUPAC Name9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1.CC1(C)c2ccccc2-c2ccccc21.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22.C22H18O2.C15H14.C14H22/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;7-10H,1-6H3
InChIKeyLUVVFVPVAJEWAA-UHFFFAOYSA-N
XLogP19.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.46
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane
CID 158820752
12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene
CID 163875744
(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
CID 145044888
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone (CID 159463242) is 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is CC(C)(C)c1cccc(C(C)(C)C)c1.CC1(C)c2ccccc2-c2ccccc21.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is LUVVFVPVAJEWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.C22H18O2.C15H14.C14H22/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;7-10H,1-6H3.
What are the key properties of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 1045.46 g/mol, XLogP of 19.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 159463242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).