11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane

C169H200 — CID 159108274

IUPAC11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2c1ccc1cc3ccccc3cc21.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3cc4ccccc4cc3cc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3cc4ccccc4cc3c21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/3C23H18.3C19H16.C15H14.14C2H6/c1-23(2)21-10-6-5-9-19(21)20-13-17-11-15-7-3-4-8-16(15)12-18(17)14-22(20)23;1-23(2)20-10-6-5-9-18(20)22-19-14-16-8-4-3-7-15(16)13-17(19)11-12-21(22)23;1-23(2)21-10-6-5-9-18(21)19-12-11-17-13-15-7-3-4-8-16(15)14-20(17)22(19)23;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-19(2)16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)11-12-17(18)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;14*1-2/h3*3-14H,1-2H3;3*3-12H,1-2H3;3-10H,1-2H3;14*1-2H3
InChIKeyKEDWUUPUVWKYQI-UHFFFAOYSA-N
MW2231.46 g/mol
LogP52.70
Rot. Bonds

About 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane

11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane (PubChem CID 159108274) has the molecular formula C169H200 and a molecular weight of 2231.46 g/mol. Its IUPAC name is 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane.

Molecular Properties

Compound Name11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
PubChem CID159108274
Molecular FormulaC169H200
Molecular Weight2231.46 g/mol
Exact Mass2229.57
IUPAC Name11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2c1ccc1cc3ccccc3cc21.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3cc4ccccc4cc3cc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3cc4ccccc4cc3c21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/3C23H18.3C19H16.C15H14.14C2H6/c1-23(2)21-10-6-5-9-19(21)20-13-17-11-15-7-3-4-8-16(15)12-18(17)14-22(20)23;1-23(2)20-10-6-5-9-18(20)22-19-14-16-8-4-3-7-15(16)13-17(19)11-12-21(22)23;1-23(2)21-10-6-5-9-18(21)19-12-11-17-13-15-7-3-4-8-16(15)14-20(17)22(19)23;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-19(2)16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)11-12-17(18)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;14*1-2/h3*3-14H,1-2H3;3*3-12H,1-2H3;3-10H,1-2H3;14*1-2H3
InChIKeyKEDWUUPUVWKYQI-UHFFFAOYSA-N
XLogP52.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002231.46
LogP ≤ 552.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane with MolForge

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Related Compounds

16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.05,14.07,12.019,31.020,29.021,26]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),20(29),21,23,25,27-pentadecaene
CID 58261394
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;ethane
CID 158558061
11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;16,16-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;8,8-dimethylindeno[1,2-a]anthracene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;14',14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
CID 159114610
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91017254
25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;ethane
CID 91293060
15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane
CID 160969814
anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene
CID 160876965
11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene;11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157171169
tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene
CID 165097795
11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane
CID 163496973
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.03,8.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.04,9.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;ethane
CID 161285825
9-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[a]fluorene;2-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[b]fluorene;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-7,7-dimethylbenzo[c]fluorene;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 158851609

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane?
The IUPAC name of 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane (CID 159108274) is 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane.
What is the SMILES notation for 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane?
The canonical SMILES for 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2c1ccc1cc3ccccc3cc21.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3cc4ccccc4cc3cc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3cc4ccccc4cc3c21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane?
The InChIKey is KEDWUUPUVWKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H18.3C19H16.C15H14.14C2H6/c1-23(2)21-10-6-5-9-19(21)20-13-17-11-15-7-3-4-8-16(15)12-18(17)14-22(20)23;1-23(2)20-10-6-5-9-18(20)22-19-14-16-8-4-3-7-15(16)13-17(19)11-12-21(22)23;1-23(2)21-10-6-5-9-18(21)19-12-11-17-13-15-7-3-4-8-16(15)14-20(17)22(19)23;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-19(2)16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)11-12-17(18)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;14*1-2/h3*3-14H,1-2H3;3*3-12H,1-2H3;3-10H,1-2H3;14*1-2H3.
What are the key properties of 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane?
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane has a molecular weight of 2231.46 g/mol, XLogP of 52.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane is sourced from PubChem (CID 159108274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).