10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene

C38H44 — CID 161333724

IUPAC10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
SMILESCC1(C)CCCC1.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2Cc2ccccc21
InChIInChI=1S/C16H16.C15H14.C7H14/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-7(2)5-3-4-6-7/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-6H2,1-2H3
InChIKeyVLTFTPCODNWKLE-UHFFFAOYSA-N
MW500.77 g/mol
LogP10.50
Rot. Bonds

About 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene

10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene (PubChem CID 161333724) has the molecular formula C38H44 and a molecular weight of 500.77 g/mol. Its IUPAC name is 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene.

Molecular Properties

Compound Name10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
PubChem CID161333724
Molecular FormulaC38H44
Molecular Weight500.77 g/mol
Exact Mass500.34
IUPAC Name10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
SMILESCC1(C)CCCC1.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2Cc2ccccc21
InChIInChI=1S/C16H16.C15H14.C7H14/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-7(2)5-3-4-6-7/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-6H2,1-2H3
InChIKeyVLTFTPCODNWKLE-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium
CID 162019277
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
12,12,28,28,44,44,60,60-octamethylheptadecacyclo[48.14.0.02,17.03,15.05,13.06,11.018,33.019,31.021,29.022,27.034,49.035,47.037,45.038,43.051,63.053,61.054,59]tetrahexaconta-1(50),2(17),3,5(13),6,8,10,14,18(33),19,21(29),22,24,26,30,34(49),35,37(45),38,40,42,46,51,53(61),54,56,58,62-octacosaene
CID 102210401
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene
CID 157108235
3-fluoro-9,9-dimethylfluorene
CID 130217991
9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol
CID 158296275
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene?
The IUPAC name of 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene (CID 161333724) is 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene.
What is the SMILES notation for 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene?
The canonical SMILES for 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene is CC1(C)CCCC1.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2Cc2ccccc21.
What is the InChIKey of 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene?
The InChIKey is VLTFTPCODNWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.C15H14.C7H14/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-7(2)5-3-4-6-7/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-6H2,1-2H3.
What are the key properties of 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene?
10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene has a molecular weight of 500.77 g/mol, XLogP of 10.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene is sourced from PubChem (CID 161333724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).