9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane

C28H42 — CID 144583357

IUPAC9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
SMILESC.C.C.C.CC.Cc1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C22H20.C2H6.4CH4/c1-15-7-6-8-16(13-15)17-11-12-19-18-9-4-5-10-20(18)22(2,3)21(19)14-17;1-2;;;;/h4-14H,1-3H3;1-2H3;4*1H4
InChIKeyMIRKNJFDATZVHJ-UHFFFAOYSA-N
MW378.64 g/mol
LogP9.54
Rot. Bonds1

About 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane

9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane (PubChem CID 144583357) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane.

Molecular Properties

Compound Name9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
PubChem CID144583357
Molecular FormulaC28H42
Molecular Weight378.64 g/mol
Exact Mass378.33
IUPAC Name9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
SMILESC.C.C.C.CC.Cc1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C22H20.C2H6.4CH4/c1-15-7-6-8-16(13-15)17-11-12-19-18-9-4-5-10-20(18)22(2,3)21(19)14-17;1-2;;;;/h4-14H,1-3H3;1-2H3;4*1H4
InChIKeyMIRKNJFDATZVHJ-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
CID 140720702
CID 140720702
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane?
The IUPAC name of 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane (CID 144583357) is 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane.
What is the SMILES notation for 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane?
The canonical SMILES for 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane is C.C.C.C.CC.Cc1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane?
The InChIKey is MIRKNJFDATZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20.C2H6.4CH4/c1-15-7-6-8-16(13-15)17-11-12-19-18-9-4-5-10-20(18)22(2,3)21(19)14-17;1-2;;;;/h4-14H,1-3H3;1-2H3;4*1H4.
What are the key properties of 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane?
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane has a molecular weight of 378.64 g/mol, XLogP of 9.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane is sourced from PubChem (CID 144583357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).