9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane

C138H180 — CID 159679906

IUPAC9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1C)Cc1c-2ccc2c1CCCC2.Cc1ccc2c(c1C)Cc1c-2ccc2ccccc12.Cc1ccc2c(c1C)Cc1cc3c(cc1-2)CCCC3.Cc1ccc2c(c1C)Cc1cc3ccccc3cc1-2.Cc1ccc2c(c1C)Cc1ccc3c(c1-2)CCCC3.Cc1ccc2c(c1C)Cc1ccc3ccccc3c1-2
InChIInChI=1S/C19H20.C19H16.C19H20.C19H16.C19H20.C19H16.12C2H6/c2*1-12-7-10-17-18(13(12)2)11-15-9-8-14-5-3-4-6-16(14)19(15)17;2*1-12-7-9-16-17-10-8-14-5-3-4-6-15(14)19(17)11-18(16)13(12)2;2*1-12-7-8-17-18(13(12)2)11-16-9-14-5-3-4-6-15(14)10-19(16)17;12*1-2/h7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;12*1-2H3
InChIKeyMVBUFUQMFCXIQG-UHFFFAOYSA-N
MW1838.96 g/mol
LogP41.66
Rot. Bonds

About 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane

9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane (PubChem CID 159679906) has the molecular formula C138H180 and a molecular weight of 1838.96 g/mol. Its IUPAC name is 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane.

Molecular Properties

Compound Name9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane
PubChem CID159679906
Molecular FormulaC138H180
Molecular Weight1838.96 g/mol
Exact Mass1837.41
IUPAC Name9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1C)Cc1c-2ccc2c1CCCC2.Cc1ccc2c(c1C)Cc1c-2ccc2ccccc12.Cc1ccc2c(c1C)Cc1cc3c(cc1-2)CCCC3.Cc1ccc2c(c1C)Cc1cc3ccccc3cc1-2.Cc1ccc2c(c1C)Cc1ccc3c(c1-2)CCCC3.Cc1ccc2c(c1C)Cc1ccc3ccccc3c1-2
InChIInChI=1S/C19H20.C19H16.C19H20.C19H16.C19H20.C19H16.12C2H6/c2*1-12-7-10-17-18(13(12)2)11-15-9-8-14-5-3-4-6-16(14)19(15)17;2*1-12-7-9-16-17-10-8-14-5-3-4-6-15(14)19(17)11-18(16)13(12)2;2*1-12-7-8-17-18(13(12)2)11-16-9-14-5-3-4-6-15(14)10-19(16)17;12*1-2/h7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;12*1-2H3
InChIKeyMVBUFUQMFCXIQG-UHFFFAOYSA-N
XLogP41.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001838.96
LogP ≤ 541.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane with MolForge

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Related Compounds

8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane
CID 159294979
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
bis(7,8,9-trimethyl-11H-benzo[a]fluorene);1,2,3-trimethyl-11H-benzo[b]fluorene;2,3,4-trimethyl-11H-benzo[b]fluorene;8,9,10-trimethyl-7H-benzo[c]fluorene;9,10,11-trimethyl-7H-benzo[c]fluorene
CID 163500234
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
bis(7,12-dihydroindeno[1,2-a]fluorene);11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158887137
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
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
14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
CID 123585590
ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 158481400
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
decacyclo[28.6.2.02,25.04,24.05,17.07,16.09,14.018,23.027,37.034,38]octatriaconta-1(37),2(25),4(24),5(17),7,9,11,13,15,18,20,22,26,28,30(38),31,33,35-octadecaene;decacyclo[28.6.2.02,25.04,24.05,17.07,16.010,15.018,23.027,37.034,38]octatriaconta-1(37),2(25),4(24),5(17),7(16),8,10,12,14,18,20,22,26,28,30(38),31,33,35-octadecaene;nonacyclo[24.6.2.02,21.04,20.06,18.07,16.09,14.023,33.030,34]tetratriaconta-1(33),2(21),4(20),5,7,9,11,13,15,18,22,24,26(34),27,29,31-hexadecaene;undecacyclo[28.6.2.28,11.02,25.03,23.06,22.07,20.09,18.010,15.027,37.034,38]tetraconta-1(37),2(25),3(23),4,6(22),7(20),8,10(15),11,13,16,18,26,28,30(38),31,33,35,39-nonadecaene;undecacyclo[28.6.2.29,12.02,25.03,23.05,21.07,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2(25),3(23),4,7(20),8,10(19),11,13,15,17,21,26,28,30(38),31,33,35,39-nonadecaene;undecacyclo[28.6.2.29,12.02,25.04,24.06,22.07,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2(25),4,6(22),7(20),8,10(19),11,13,15,17,23,26,28,30(38),31,33,35,39-nonadecaene
CID 161069836

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane?
The IUPAC name of 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane (CID 159679906) is 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane.
What is the SMILES notation for 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane?
The canonical SMILES for 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1C)Cc1c-2ccc2c1CCCC2.Cc1ccc2c(c1C)Cc1c-2ccc2ccccc12.Cc1ccc2c(c1C)Cc1cc3c(cc1-2)CCCC3.Cc1ccc2c(c1C)Cc1cc3ccccc3cc1-2.Cc1ccc2c(c1C)Cc1ccc3c(c1-2)CCCC3.Cc1ccc2c(c1C)Cc1ccc3ccccc3c1-2.
What is the InChIKey of 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane?
The InChIKey is MVBUFUQMFCXIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20.C19H16.C19H20.C19H16.C19H20.C19H16.12C2H6/c2*1-12-7-10-17-18(13(12)2)11-15-9-8-14-5-3-4-6-16(14)19(15)17;2*1-12-7-9-16-17-10-8-14-5-3-4-6-15(14)19(17)11-18(16)13(12)2;2*1-12-7-8-17-18(13(12)2)11-16-9-14-5-3-4-6-15(14)10-19(16)17;12*1-2/h7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-10H,11H2,1-2H3;12*1-2H3.
What are the key properties of 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane?
9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane has a molecular weight of 1838.96 g/mol, XLogP of 41.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane is sourced from PubChem (CID 159679906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).