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

C116H92 — CID 157095898

IUPAC11H-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
SMILESCC.Cc1cc2c(c3ccccc13)-c1ccccc1C2.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2ccccc2c1-3.Cc1ccc2c(c1)Cc1cc3ccccc3cc1-2.Cc1ccc2c3c(ccc2c1)-c1ccccc1C3.Cc1ccc2cc3c(cc2c1)Cc1ccccc1-3.c1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C25H18.4C18H14.C17H12.C2H6/c1-15-6-9-21-18(10-15)12-19-14-24-20(13-23(19)21)11-17-8-7-16-4-2-3-5-22(16)25(17)24;1-12-10-14-11-13-6-2-3-8-16(13)18(14)17-9-5-4-7-15(12)17;1-12-6-8-16-14(10-12)7-9-17-15-5-3-2-4-13(15)11-18(16)17;1-12-6-7-13-11-18-16(10-15(13)8-12)9-14-4-2-3-5-17(14)18;1-12-6-7-17-15(8-12)10-16-9-13-4-2-3-5-14(13)11-18(16)17;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;1-2/h2-10,13-14H,11-12H2,1H3;2*2-10H,11H2,1H3;2-8,10-11H,9H2,1H3;2-9,11H,10H2,1H3;1-10H,11H2;1-2H3
InChIKeyAFEYZMGEQPIHJC-UHFFFAOYSA-N
MW1486.01 g/mol
LogP30.61
Rot. Bonds

About 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

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 (PubChem CID 157095898) has the molecular formula C116H92 and a molecular weight of 1486.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11H-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
PubChem CID157095898
Molecular FormulaC116H92
Molecular Weight1486.01 g/mol
Exact Mass1484.72
IUPAC Name11H-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
SMILESCC.Cc1cc2c(c3ccccc13)-c1ccccc1C2.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2ccccc2c1-3.Cc1ccc2c(c1)Cc1cc3ccccc3cc1-2.Cc1ccc2c3c(ccc2c1)-c1ccccc1C3.Cc1ccc2cc3c(cc2c1)Cc1ccccc1-3.c1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C25H18.4C18H14.C17H12.C2H6/c1-15-6-9-21-18(10-15)12-19-14-24-20(13-23(19)21)11-17-8-7-16-4-2-3-5-22(16)25(17)24;1-12-10-14-11-13-6-2-3-8-16(13)18(14)17-9-5-4-7-15(12)17;1-12-6-8-16-14(10-12)7-9-17-15-5-3-2-4-13(15)11-18(16)17;1-12-6-7-13-11-18-16(10-15(13)8-12)9-14-4-2-3-5-17(14)18;1-12-6-7-17-15(8-12)10-16-9-13-4-2-3-5-14(13)11-18(16)17;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;1-2/h2-10,13-14H,11-12H2,1H3;2*2-10H,11H2,1H3;2-8,10-11H,9H2,1H3;2-9,11H,10H2,1H3;1-10H,11H2;1-2H3
InChIKeyAFEYZMGEQPIHJC-UHFFFAOYSA-N
XLogP30.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.01
LogP ≤ 530.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
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
pentakis(9,10-diethylanthracene);hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene;hexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;hexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;hexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 158023479
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
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.Cc1cc2c(c3ccccc13)-c1ccccc1C2.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccc2ccccc2c1-3.Cc1ccc2c(c1)Cc1cc3ccccc3cc1-2.Cc1ccc2c3c(ccc2c1)-c1ccccc1C3.Cc1ccc2cc3c(cc2c1)Cc1ccccc1-3.c1ccc2c(c1)Cc1c-2ccc2ccccc12.
What is the InChIKey of 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?
The InChIKey is AFEYZMGEQPIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.4C18H14.C17H12.C2H6/c1-15-6-9-21-18(10-15)12-19-14-24-20(13-23(19)21)11-17-8-7-16-4-2-3-5-22(16)25(17)24;1-12-10-14-11-13-6-2-3-8-16(13)18(14)17-9-5-4-7-15(12)17;1-12-6-8-16-14(10-12)7-9-17-15-5-3-2-4-13(15)11-18(16)17;1-12-6-7-13-11-18-16(10-15(13)8-12)9-14-4-2-3-5-17(14)18;1-12-6-7-17-15(8-12)10-16-9-13-4-2-3-5-14(13)11-18(16)17;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;1-2/h2-10,13-14H,11-12H2,1H3;2*2-10H,11H2,1H3;2-8,10-11H,9H2,1H3;2-9,11H,10H2,1H3;1-10H,11H2;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1486.01 g/mol, XLogP of 30.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157095898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).