6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane

C237H356N14O5S2 — CID 158915776

About 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane

6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane (PubChem CID 158915776) has the molecular formula C237H356N14O5S2 and a molecular weight of 3545.68 g/mol. Its IUPAC name is 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane.

Molecular Properties

• Compound Name: 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
• PubChem CID: 158915776
• Molecular Formula: C237H356N14O5S2
• Molecular Weight: 3545.68 g/mol
• Exact Mass: 3542.75
• IUPAC Name: 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
• SMILES: C.C.C.C.C.C.C.C=C1Cc2ccc(C(C)(C)C)cc2CN1.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCS2(=O)=O.CC(C)(C)c1ccc2c(c1)CCCS2(=O)=O.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1cccc2c1CCNC2.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)NCC2.CC(C)(C)c1cnc2c(c1)NCCC2
• InChI: InChI=1S/C14H19N.2C14H20.5C13H19N.2C13H18O2S.2C13H18.C12H18N2.C12H17NO.3C12H17N.C11H16N2.7CH4/c1-10-7-11-5-6-13(14(2,3)4)8-12(11)9-15-10;2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-13(2,3)11-6-7-12-10(9-11)5-4-8-16(12,14)15;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;;;;;;;/h5-6,8,15H,1,7,9H2,2-4H3;2*8-10H,4-7H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;2*4-6,14H,7-9H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;2*7-9H,4-6H2,1-3H3;7-8,13H,4-6H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;6-7,12H,4-5H2,1-3H3;7*1H4
• InChIKey: JHFAUHUIUGHYOT-UHFFFAOYSA-N
• XLogP: 59.35
• TPSA: 251.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3545.68
LogP ≤ 5	59.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?

The IUPAC name of 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane (CID 158915776) is 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane.

What is the SMILES notation for 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?

The canonical SMILES for 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane is C.C.C.C.C.C.C.C=C1Cc2ccc(C(C)(C)C)cc2CN1.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCS2(=O)=O.CC(C)(C)c1ccc2c(c1)CCCS2(=O)=O.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1cccc2c1CCNC2.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)NCC2.CC(C)(C)c1cnc2c(c1)NCCC2.

What is the InChIKey of 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?

The InChIKey is JHFAUHUIUGHYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.2C14H20.5C13H19N.2C13H18O2S.2C13H18.C12H18N2.C12H17NO.3C12H17N.C11H16N2.7CH4/c1-10-7-11-5-6-13(14(2,3)4)8-12(11)9-15-10;2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-13(2,3)11-6-7-12-10(9-11)5-4-8-16(12,14)15;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;;;;;;;/h5-6,8,15H,1,7,9H2,2-4H3;2*8-10H,4-7H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;2*4-6,14H,7-9H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;2*7-9H,4-6H2,1-3H3;7-8,13H,4-6H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;6-7,12H,4-5H2,1-3H3;7*1H4.

What are the key properties of 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane?

6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane has a molecular weight of 3545.68 g/mol, XLogP of 59.35, 0 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane is sourced from PubChem (CID 158915776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).