1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane

C158H272 — CID 160544712

About 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane

1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane (PubChem CID 160544712) has the molecular formula C158H272 and a molecular weight of 2171.91 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane
• PubChem CID: 160544712
• Molecular Formula: C158H272
• Molecular Weight: 2171.91 g/mol
• Exact Mass: 2170.13
• IUPAC Name: 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane
• SMILES: C1C2CC1C2.C1CC2CC(C1)C2.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CC2CCCC(C1)CC2.C1CCC2(CC1)CC2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCCC2.C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21.C1CCC2C(C1)CCC1C3CCCC3CCC21.C1CCC2C(C1)CCC1C3CCCCC3CCC21.C1CCC2CC(C1)C2.C1CCC2CCC(C1)CC2.C1CCC2CCCC(C1)CC2
• InChI: InChI=1S/C22H36.C18H30.C17H28.2C11H20.3C10H18.3C8H14.2C7H12.C6H10.C5H8/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-5-11-7-3-6-10(4-1)8-9-11;1-3-9-5-2-6-10(4-1)8-7-9;1-2-6-10(7-3-1)8-4-5-9-10;1-2-4-10-7-5-9(3-1)6-8-10;1-2-7-4-5-8(3-1)6-7;1-2-4-8-5-7(3-1)6-8;1-2-4-8(5-3-1)6-7-8;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h15-22H,1-14H2;13-18H,1-12H2;12-17H,1-11H2;1-10H2;10-11H,1-9H2;9-10H,1-8H2;1-9H2;9-10H,1-8H2;2*7-8H,1-6H2;1-7H2;2*6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2
• InChIKey: QXGQSQUXAYRVHA-UHFFFAOYSA-N
• XLogP: 50.32
• TPSA: 0.00 Ų
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2171.91
LogP ≤ 5	50.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane?

The IUPAC name of 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane (CID 160544712) is 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane.

What is the SMILES notation for 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane?

The canonical SMILES for 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane is C1C2CC1C2.C1CC2CC(C1)C2.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CC2CCCC(C1)CC2.C1CCC2(CC1)CC2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCCC2.C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21.C1CCC2C(C1)CCC1C3CCCC3CCC21.C1CCC2C(C1)CCC1C3CCCCC3CCC21.C1CCC2CC(C1)C2.C1CCC2CCC(C1)CC2.C1CCC2CCCC(C1)CC2.

What is the InChIKey of 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane?

The InChIKey is QXGQSQUXAYRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36.C18H30.C17H28.2C11H20.3C10H18.3C8H14.2C7H12.C6H10.C5H8/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-5-11-7-3-6-10(4-1)8-9-11;1-3-9-5-2-6-10(4-1)8-7-9;1-2-6-10(7-3-1)8-4-5-9-10;1-2-4-10-7-5-9(3-1)6-8-10;1-2-7-4-5-8(3-1)6-7;1-2-4-8-5-7(3-1)6-8;1-2-4-8(5-3-1)6-7-8;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h15-22H,1-14H2;13-18H,1-12H2;12-17H,1-11H2;1-10H2;10-11H,1-9H2;9-10H,1-8H2;1-9H2;9-10H,1-8H2;2*7-8H,1-6H2;1-7H2;2*6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2.

What are the key properties of 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane?

1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane has a molecular weight of 2171.91 g/mol, XLogP of 50.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane is sourced from PubChem (CID 160544712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).