bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene

C195H346 — CID 159335923

IUPACbis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.C.C.C.C.C.C1=CC2=CC=CC2C=C1.C1=CC2=CC=CC2C=C1.C1=CCC=C1.C1=CCC=C1.C1=CCCC1.C1=Cc2ccccc2C1.C1CCC1.C1CCCC1.C1CCCCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C11H14.C10H12.C10H8.2C9H10.3C9H8.C6H12.C6H6.C5H10.C5H8.2C5H6.15C5H12.C4H8.8CH4/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;15*1-5(2,3)4;1-2-4-3-1;;;;;;;;/h4-5,8-9H,1-3,6-7H2;1-2,5-6H,3-4,7-8H2;1-8H;2*1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-8H;1-6H2;1-6H;1-5H2;1-2H,3-5H2;2*1-4H,5H2;15*1-4H3;1-4H2;8*1H4
InChIKeyLFNKWVUMWXRUFR-UHFFFAOYSA-N
MW2690.91 g/mol
LogP67.56
Rot. Bonds

About bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene

bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene (PubChem CID 159335923) has the molecular formula C195H346 and a molecular weight of 2690.91 g/mol. Its IUPAC name is bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namebis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
PubChem CID159335923
Molecular FormulaC195H346
Molecular Weight2690.91 g/mol
Exact Mass2688.71
IUPAC Namebis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.C.C.C.C.C.C1=CC2=CC=CC2C=C1.C1=CC2=CC=CC2C=C1.C1=CCC=C1.C1=CCC=C1.C1=CCCC1.C1=Cc2ccccc2C1.C1CCC1.C1CCCC1.C1CCCCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C11H14.C10H12.C10H8.2C9H10.3C9H8.C6H12.C6H6.C5H10.C5H8.2C5H6.15C5H12.C4H8.8CH4/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;15*1-5(2,3)4;1-2-4-3-1;;;;;;;;/h4-5,8-9H,1-3,6-7H2;1-2,5-6H,3-4,7-8H2;1-8H;2*1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-8H;1-6H2;1-6H;1-5H2;1-2H,3-5H2;2*1-4H,5H2;15*1-4H3;1-4H2;8*1H4
InChIKeyLFNKWVUMWXRUFR-UHFFFAOYSA-N
XLogP67.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002690.91
LogP ≤ 567.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 157351867
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)
CID 158825040
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)
CID 158482198
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
2,3-dihydro-1H-indene;1H-indene;naphthalene
CID 161039487
2,2-dimethylpropane;1H-indene
CID 91444603
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
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;2,3-dihydro-1H-indene;1H-indene;1,2,3,4-tetrahydronaphthalene
CID 158048091
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bis(bicyclo[2.2.1]heptane);bicyclo[3.1.0]hexane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;2,3-dihydro-1H-indene;1H-indene;1,2,3,4-tetrahydronaphthalene
CID 158375909
benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane
CID 162206246

Frequently Asked Questions

What is the IUPAC name of bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene (CID 159335923) is bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene is C.C.C.C.C.C.C.C.C1=CC2=CC=CC2C=C1.C1=CC2=CC=CC2C=C1.C1=CCC=C1.C1=CCC=C1.C1=CCCC1.C1=Cc2ccccc2C1.C1CCC1.C1CCCC1.C1CCCCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?
The InChIKey is LFNKWVUMWXRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C10H12.C10H8.2C9H10.3C9H8.C6H12.C6H6.C5H10.C5H8.2C5H6.15C5H12.C4H8.8CH4/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;15*1-5(2,3)4;1-2-4-3-1;;;;;;;;/h4-5,8-9H,1-3,6-7H2;1-2,5-6H,3-4,7-8H2;1-8H;2*1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-8H;1-6H2;1-6H;1-5H2;1-2H,3-5H2;2*1-4H,5H2;15*1-4H3;1-4H2;8*1H4.
What are the key properties of bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?
bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 2690.91 g/mol, XLogP of 67.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159335923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).