ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene

C68H66 — CID 162049982

IUPACethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene
SMILESC/C=C/C1=CCc2ccccc21.C1=Cc2ccccc2C1.CC.Cc1ccc2c(c1)-c1ccccc1-2.Cc1ccc2c(c1)-c1ccccc1C2.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C14H12.C13H10.C12H12.C11H10.C9H8.C7H8.C2H6/c1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-9-6-7-12-10-4-2-3-5-11(10)13(12)8-9;1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;1-2/h2-8H,9H2,1H3;2-8H,1H3;2-8H,9H2,1H3;2-8H,1H3;1-6H,7H2;2-6H,1H3;1-2H3/b;;5-2+;;;;
InChIKeyYYKOCUZVYQYFQV-WINABVCGSA-N
MW883.28 g/mol
LogP18.84
Rot. Bonds1

About ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene

ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene (PubChem CID 162049982) has the molecular formula C68H66 and a molecular weight of 883.28 g/mol. Its IUPAC name is ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene.

Molecular Properties

Compound Nameethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene
PubChem CID162049982
Molecular FormulaC68H66
Molecular Weight883.28 g/mol
Exact Mass882.52
IUPAC Nameethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene
SMILESC/C=C/C1=CCc2ccccc21.C1=Cc2ccccc2C1.CC.Cc1ccc2c(c1)-c1ccccc1-2.Cc1ccc2c(c1)-c1ccccc1C2.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C14H12.C13H10.C12H12.C11H10.C9H8.C7H8.C2H6/c1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-9-6-7-12-10-4-2-3-5-11(10)13(12)8-9;1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;1-2/h2-8H,9H2,1H3;2-8H,1H3;2-8H,9H2,1H3;2-8H,1H3;1-6H,7H2;2-6H,1H3;1-2H3/b;;5-2+;;;;
InChIKeyYYKOCUZVYQYFQV-WINABVCGSA-N
XLogP18.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.28
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[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;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 160875333
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2,3,3a,4,5,6,7,7a-octahydro-1H-indene;anthracene;benzene;cycloheptane;cyclohexane;cyclopentane;9H-fluorene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 158210787
2-(1H-inden-5-yl)-9H-fluorene
CID 145186106
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
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CID 143829874
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CID 163621135
anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene
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Frequently Asked Questions

What is the IUPAC name of ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene?
The IUPAC name of ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene (CID 162049982) is ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene.
What is the SMILES notation for ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene?
The canonical SMILES for ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene is C/C=C/C1=CCc2ccccc21.C1=Cc2ccccc2C1.CC.Cc1ccc2c(c1)-c1ccccc1-2.Cc1ccc2c(c1)-c1ccccc1C2.Cc1ccc2ccccc2c1.Cc1ccccc1.
What is the InChIKey of ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene?
The InChIKey is YYKOCUZVYQYFQV-WINABVCGSA-N. The full InChI is InChI=1S/C14H12.C13H10.C12H12.C11H10.C9H8.C7H8.C2H6/c1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-9-6-7-12-10-4-2-3-5-11(10)13(12)8-9;1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;1-2/h2-8H,9H2,1H3;2-8H,1H3;2-8H,9H2,1H3;2-8H,1H3;1-6H,7H2;2-6H,1H3;1-2H3/b;;5-2+;;;;.
What are the key properties of ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene?
ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene has a molecular weight of 883.28 g/mol, XLogP of 18.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene is sourced from PubChem (CID 162049982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).