1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane

C133H254 — CID 162178893

IUPAC1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane
SMILESC1C2CC3CC1CC(C2)C3.C1CC2C3CCC(C3)C2C1.C1CC2CC1C2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC3CCCC4CCC(C1)C2C34.C1CC2CCCC2C1.C1CC2CCCC3CCCC(C1)C23.C1CCC2CC3CCCCC3CC2C1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C16H26.C14H24.C13H22.2C10H16.C10H18.C9H16.2C8H14.C7H12.C6H10.11C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-6-3-5(1)4-6;11*1-2/h11-16H,1-10H2;11-14H,1-10H2;10-13H,1-9H2;2*7-10H,1-6H2;9-10H,1-8H2;8-9H,1-7H2;2*7-8H,1-6H2;6-7H,1-5H2;5-6H,1-4H2;11*1-2H3
InChIKeyZOTJOYYXBIPRAE-UHFFFAOYSA-N
MW1853.49 g/mol
LogP45.51
Rot. Bonds

About 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane

1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane (PubChem CID 162178893) has the molecular formula C133H254 and a molecular weight of 1853.49 g/mol. Its IUPAC name is 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane
PubChem CID162178893
Molecular FormulaC133H254
Molecular Weight1853.49 g/mol
Exact Mass1851.99
IUPAC Name1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane
SMILESC1C2CC3CC1CC(C2)C3.C1CC2C3CCC(C3)C2C1.C1CC2CC1C2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC3CCCC4CCC(C1)C2C34.C1CC2CCCC2C1.C1CC2CCCC3CCCC(C1)C23.C1CCC2CC3CCCCC3CC2C1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C16H26.C14H24.C13H22.2C10H16.C10H18.C9H16.2C8H14.C7H12.C6H10.11C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-6-3-5(1)4-6;11*1-2/h11-16H,1-10H2;11-14H,1-10H2;10-13H,1-9H2;2*7-10H,1-6H2;9-10H,1-8H2;8-9H,1-7H2;2*7-8H,1-6H2;6-7H,1-5H2;5-6H,1-4H2;11*1-2H3
InChIKeyZOTJOYYXBIPRAE-UHFFFAOYSA-N
XLogP45.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001853.49
LogP ≤ 545.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane?
The IUPAC name of 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane (CID 162178893) is 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane is C1C2CC3CC1CC(C2)C3.C1CC2C3CCC(C3)C2C1.C1CC2CC1C2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC3CCCC4CCC(C1)C2C34.C1CC2CCCC2C1.C1CC2CCCC3CCCC(C1)C23.C1CCC2CC3CCCCC3CC2C1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane?
The InChIKey is ZOTJOYYXBIPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C14H24.C13H22.2C10H16.C10H18.C9H16.2C8H14.C7H12.C6H10.11C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-6-3-5(1)4-6;11*1-2/h11-16H,1-10H2;11-14H,1-10H2;10-13H,1-9H2;2*7-10H,1-6H2;9-10H,1-8H2;8-9H,1-7H2;2*7-8H,1-6H2;6-7H,1-5H2;5-6H,1-4H2;11*1-2H3.
What are the key properties of 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane?
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane has a molecular weight of 1853.49 g/mol, XLogP of 45.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene;1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;adamantane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;ethane;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 162178893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).