butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane

C60H108 — CID 157099675

IUPACbutane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane
SMILESC.C.CC.CC.CC(C)(C)C.CC(C)C.CCC(C)C.CCC(C)C.CCCC.CCCCC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H20.4C5H12.2C4H10.2C2H6.2CH4/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;2*1-2;;/h2-18H,1H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;2*1-2H3;2*1H4
InChIKeyAFPTXMWSKDPXMY-UHFFFAOYSA-N
MW829.52 g/mol
LogP21.51
Rot. Bonds7

About butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane

butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane (PubChem CID 157099675) has the molecular formula C60H108 and a molecular weight of 829.52 g/mol. Its IUPAC name is butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane.

Molecular Properties

Compound Namebutane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane
PubChem CID157099675
Molecular FormulaC60H108
Molecular Weight829.52 g/mol
Exact Mass828.85
IUPAC Namebutane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane
SMILESC.C.CC.CC.CC(C)(C)C.CC(C)C.CCC(C)C.CCC(C)C.CCCC.CCCCC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H20.4C5H12.2C4H10.2C2H6.2CH4/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;2*1-2;;/h2-18H,1H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;2*1-2H3;2*1H4
InChIKeyAFPTXMWSKDPXMY-UHFFFAOYSA-N
XLogP21.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.52
LogP ≤ 521.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane with MolForge

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Related Compounds

methane;2-methyl-9,9-diphenylfluorene
CID 144583572
1-butan-2-yl-2-methylbenzene;1-butyl-4-(4-methylphenyl)benzene;ethane;ethene;2-methyl-9,9-diphenylfluorene;2-methylhexane;toluene
CID 144741454
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);2-methylpropane;pentane;propane;toluene
CID 157406316
2-deuterio-7-methyl-9,9-diphenylfluorene
CID 59886082
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
9,9-diphenylfluorene;propane
CID 158205050
2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
CID 177067098
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
CID 58607554
CID 58607554
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703

Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane?
The IUPAC name of butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane (CID 157099675) is butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane.
What is the SMILES notation for butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane?
The canonical SMILES for butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane is C.C.CC.CC.CC(C)(C)C.CC(C)C.CCC(C)C.CCC(C)C.CCCC.CCCCC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane?
The InChIKey is AFPTXMWSKDPXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.4C5H12.2C4H10.2C2H6.2CH4/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;2*1-2;;/h2-18H,1H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;2*1-2H3;2*1H4.
What are the key properties of butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane?
butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane has a molecular weight of 829.52 g/mol, XLogP of 21.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane is sourced from PubChem (CID 157099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).