8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C111H118 — CID 163649246

IUPAC8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)C1CCC2C1.Cc1cc2c(c(C)c1C)CCCC2.Cc1cc2c(c(C)c1C)Cc1c-2ccc2ccccc12.Cc1cc2c(c(C)c1C)Cc1ccccc1-2.Cc1cc2c(c(C)c1C)Cc1ccccc1-2
InChIInChI=1S/C20H18.4C16H16.C14H18.C13H18/c1-12-10-19-17-9-8-15-6-4-5-7-16(15)20(17)11-18(19)14(3)13(12)2;2*1-10-8-14-9-13-6-4-5-7-15(13)16(14)12(3)11(10)2;2*1-10-8-16-14-7-5-4-6-13(14)9-15(16)12(3)11(10)2;1-8-6-13-11-4-5-12(7-11)14(13)10(3)9(8)2;1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-10H,11H2,1-3H3;4*4-8H,9H2,1-3H3;6,11-12H,4-5,7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyIKVMVWUWUHWUDH-UHFFFAOYSA-N
MW1452.16 g/mol
LogP29.54
Rot. Bonds

About 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 163649246) has the molecular formula C111H118 and a molecular weight of 1452.16 g/mol. Its IUPAC name is 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID163649246
Molecular FormulaC111H118
Molecular Weight1452.16 g/mol
Exact Mass1450.92
IUPAC Name8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)C1CCC2C1.Cc1cc2c(c(C)c1C)CCCC2.Cc1cc2c(c(C)c1C)Cc1c-2ccc2ccccc12.Cc1cc2c(c(C)c1C)Cc1ccccc1-2.Cc1cc2c(c(C)c1C)Cc1ccccc1-2
InChIInChI=1S/C20H18.4C16H16.C14H18.C13H18/c1-12-10-19-17-9-8-15-6-4-5-7-16(15)20(17)11-18(19)14(3)13(12)2;2*1-10-8-14-9-13-6-4-5-7-15(13)16(14)12(3)11(10)2;2*1-10-8-16-14-7-5-4-6-13(14)9-15(16)12(3)11(10)2;1-8-6-13-11-4-5-12(7-11)14(13)10(3)9(8)2;1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-10H,11H2,1-3H3;4*4-8H,9H2,1-3H3;6,11-12H,4-5,7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyIKVMVWUWUHWUDH-UHFFFAOYSA-N
XLogP29.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.16
LogP ≤ 529.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene with MolForge

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Related Compounds

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
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[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(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
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
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
CID 175811076
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
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
1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
CID 166545030
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
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

Frequently Asked Questions

What is the IUPAC name of 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 163649246) is 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is Cc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)C1CCC2C1.Cc1cc2c(c(C)c1C)CCCC2.Cc1cc2c(c(C)c1C)Cc1c-2ccc2ccccc12.Cc1cc2c(c(C)c1C)Cc1ccccc1-2.Cc1cc2c(c(C)c1C)Cc1ccccc1-2.
What is the InChIKey of 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is IKVMVWUWUHWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.4C16H16.C14H18.C13H18/c1-12-10-19-17-9-8-15-6-4-5-7-16(15)20(17)11-18(19)14(3)13(12)2;2*1-10-8-14-9-13-6-4-5-7-15(13)16(14)12(3)11(10)2;2*1-10-8-16-14-7-5-4-6-13(14)9-15(16)12(3)11(10)2;1-8-6-13-11-4-5-12(7-11)14(13)10(3)9(8)2;1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-10H,11H2,1-3H3;4*4-8H,9H2,1-3H3;6,11-12H,4-5,7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 1452.16 g/mol, XLogP of 29.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-trimethyl-11H-benzo[a]fluorene;bis(1,2,3-trimethyl-9H-fluorene);bis(2,3,4-trimethyl-9H-fluorene);5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 163649246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).