5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane

C69H84 — CID 158732726

IUPAC5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
SMILESCC.CC.CC.CC.CC.CC.Cc1cc2c(c3ccccc13)-c1c(cc(C)c3ccccc13)C2.Cc1ccc2c(c1)Cc1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2
InChIInChI=1S/C23H18.C19H16.C15H14.6C2H6/c1-14-11-16-13-17-12-15(2)19-8-4-6-10-21(19)23(17)22(16)20-9-5-3-7-18(14)20;1-12-7-8-17-14(9-12)11-15-10-13(2)16-5-3-4-6-18(16)19(15)17;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;6*1-2/h3-12H,13H2,1-2H3;3-10H,11H2,1-2H3;3-8H,9H2,1-2H3;6*1-2H3
InChIKeyILHHWQWWVUZCCC-UHFFFAOYSA-N
MW913.43 g/mol
LogP21.24
Rot. Bonds

About 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane

5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane (PubChem CID 158732726) has the molecular formula C69H84 and a molecular weight of 913.43 g/mol. Its IUPAC name is 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane.

Molecular Properties

Compound Name5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
PubChem CID158732726
Molecular FormulaC69H84
Molecular Weight913.43 g/mol
Exact Mass912.66
IUPAC Name5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
SMILESCC.CC.CC.CC.CC.CC.Cc1cc2c(c3ccccc13)-c1c(cc(C)c3ccccc13)C2.Cc1ccc2c(c1)Cc1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2
InChIInChI=1S/C23H18.C19H16.C15H14.6C2H6/c1-14-11-16-13-17-12-15(2)19-8-4-6-10-21(19)23(17)22(16)20-9-5-3-7-18(14)20;1-12-7-8-17-14(9-12)11-15-10-13(2)16-5-3-4-6-18(16)19(15)17;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;6*1-2/h3-12H,13H2,1-2H3;3-10H,11H2,1-2H3;3-8H,9H2,1-2H3;6*1-2H3
InChIKeyILHHWQWWVUZCCC-UHFFFAOYSA-N
XLogP21.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.43
LogP ≤ 521.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane with MolForge

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Related Compounds

2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene
CID 158890924
11H-benzo[a]fluorene;ethane;3-methyl-11H-benzo[a]fluorene;2-methyl-11H-benzo[b]fluorene;8-methyl-11H-benzo[b]fluorene;5-methyl-7H-benzo[c]fluorene;19-methylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 157095898
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
8-methyl-7H-benzo[c]fluorene;9-methyl-7H-benzo[c]fluorene;10-methyl-7H-benzo[c]fluorene;1-methyl-9H-fluorene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;toluene
CID 160899257

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane?
The IUPAC name of 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane (CID 158732726) is 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane.
What is the SMILES notation for 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane?
The canonical SMILES for 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane is CC.CC.CC.CC.CC.CC.Cc1cc2c(c3ccccc13)-c1c(cc(C)c3ccccc13)C2.Cc1ccc2c(c1)Cc1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.
What is the InChIKey of 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane?
The InChIKey is ILHHWQWWVUZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18.C19H16.C15H14.6C2H6/c1-14-11-16-13-17-12-15(2)19-8-4-6-10-21(19)23(17)22(16)20-9-5-3-7-18(14)20;1-12-7-8-17-14(9-12)11-15-10-13(2)16-5-3-4-6-18(16)19(15)17;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;6*1-2/h3-12H,13H2,1-2H3;3-10H,11H2,1-2H3;3-8H,9H2,1-2H3;6*1-2H3.
What are the key properties of 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane?
5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane has a molecular weight of 913.43 g/mol, XLogP of 21.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane is sourced from PubChem (CID 158732726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).