butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene

C32H50 — CID 143365607

IUPACbutane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
SMILESCCC(C)CC1(CC(C)CC)c2cc(C)ccc2-c2ccc(C(C)(C)C)cc21.CCCC
InChIInChI=1S/C28H40.C4H10/c1-9-19(3)17-28(18-20(4)10-2)25-15-21(5)11-13-23(25)24-14-12-22(16-26(24)28)27(6,7)8;1-3-4-2/h11-16,19-20H,9-10,17-18H2,1-8H3;3-4H2,1-2H3
InChIKeyKJMJRUBGBOOVED-UHFFFAOYSA-N
MW434.75 g/mol
LogP10.24
Rot. Bonds7

About butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene

butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene (PubChem CID 143365607) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene.

Molecular Properties

Compound Namebutane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
PubChem CID143365607
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Namebutane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
SMILESCCC(C)CC1(CC(C)CC)c2cc(C)ccc2-c2ccc(C(C)(C)C)cc21.CCCC
InChIInChI=1S/C28H40.C4H10/c1-9-19(3)17-28(18-20(4)10-2)25-15-21(5)11-13-23(25)24-14-12-22(16-26(24)28)27(6,7)8;1-3-4-2/h11-16,19-20H,9-10,17-18H2,1-8H3;3-4H2,1-2H3
InChIKeyKJMJRUBGBOOVED-UHFFFAOYSA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
CID 23568230
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
CID 157036733
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028071
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
CID 58648648
2-[9,9-bis(2-methylbutyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[9,9-dibutyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2',7'-ditert-butyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[4-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2-fluoro-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158509546
2-tert-butyl-4-methyl-6-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]phenol;carbanide;titanium(3+)
CID 59270151
9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
CID 59512850
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098

Frequently Asked Questions

What is the IUPAC name of butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene?
The IUPAC name of butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene (CID 143365607) is butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene.
What is the SMILES notation for butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene?
The canonical SMILES for butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene is CCC(C)CC1(CC(C)CC)c2cc(C)ccc2-c2ccc(C(C)(C)C)cc21.CCCC.
What is the InChIKey of butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene?
The InChIKey is KJMJRUBGBOOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40.C4H10/c1-9-19(3)17-28(18-20(4)10-2)25-15-21(5)11-13-23(25)24-14-12-22(16-26(24)28)27(6,7)8;1-3-4-2/h11-16,19-20H,9-10,17-18H2,1-8H3;3-4H2,1-2H3.
What are the key properties of butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene?
butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene has a molecular weight of 434.75 g/mol, XLogP of 10.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene is sourced from PubChem (CID 143365607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).