bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C319H557N31O17S4 — CID 159153891

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESC1CCC2COCCC2C1.C1CCC2OCCCC2C1.C1CCC2OCCCC2C1.C1COC2CCNCC2C1.C1COC2CNCCC2C1.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.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.c1cc2c(cn1)CCCO2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCN2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2c(s1)CCCC2.c1cc2c(s1)CCCC2.c1cc2c(s1)CCNC2.c1cc2c(s1)CNCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCN2.c1cnc2c(n1)CCCO2.c1ncc2c(n1)NCCC2.c1ncc2c(n1)OCCC2.c1nncc2c1CCCN2.c1nncc2c1CCCO2
InChIInChI=1S/2C9H16O.2C9H10O.C9H16O.3C8H9NO.C8H15NO.C8H9NO.C8H15NO.C8H9NO.2C8H10S.4C7H9N3.5C7H8N2O.2C7H9NS.25C5H12/c4*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;2*1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-4-3-8(7)10-5-1;2*1-2-7-3-4-9-6-8(7)10-5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-10-7;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-4-9-10-5-7(6)8-3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;25*1-5(2,3)4/h2*8-9H,1-7H2;2*1-2,4,6H,3,5,7H2;8-9H,1-7H2;1,4-5H,2-3,6H2;2*1,3,5H,2,4,6H2;7-9H,1-6H2;3-4,6H,1-2,5H2;7-9H,1-6H2;3-4,6H,1-2,5H2;2*5-6H,1-4H2;3,5,8H,1-2,4H2;4-5H,1-3H2,(H,8,9,10);4-5,8H,1-3H2;4-5H,1-3H2,(H,9,10);3*3-4H,1-2,5H2;2*4-5H,1-3H2;2*2,4,8H,1,3,5H2;25*1-4H3
InChIKeyKJQLHOWLMRXKBJ-UHFFFAOYSA-N
MW5227.43 g/mol
LogP86.23
Rot. Bonds

About bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 159153891) has the molecular formula C319H557N31O17S4 and a molecular weight of 5227.43 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID159153891
Molecular FormulaC319H557N31O17S4
Molecular Weight5227.43 g/mol
Exact Mass5223.26
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESC1CCC2COCCC2C1.C1CCC2OCCCC2C1.C1CCC2OCCCC2C1.C1COC2CCNCC2C1.C1COC2CNCCC2C1.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.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.c1cc2c(cn1)CCCO2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCN2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2c(s1)CCCC2.c1cc2c(s1)CCCC2.c1cc2c(s1)CCNC2.c1cc2c(s1)CNCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCN2.c1cnc2c(n1)CCCO2.c1ncc2c(n1)NCCC2.c1ncc2c(n1)OCCC2.c1nncc2c1CCCN2.c1nncc2c1CCCO2
InChIInChI=1S/2C9H16O.2C9H10O.C9H16O.3C8H9NO.C8H15NO.C8H9NO.C8H15NO.C8H9NO.2C8H10S.4C7H9N3.5C7H8N2O.2C7H9NS.25C5H12/c4*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;2*1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-4-3-8(7)10-5-1;2*1-2-7-3-4-9-6-8(7)10-5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-10-7;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-4-9-10-5-7(6)8-3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;25*1-5(2,3)4/h2*8-9H,1-7H2;2*1-2,4,6H,3,5,7H2;8-9H,1-7H2;1,4-5H,2-3,6H2;2*1,3,5H,2,4,6H2;7-9H,1-6H2;3-4,6H,1-2,5H2;7-9H,1-6H2;3-4,6H,1-2,5H2;2*5-6H,1-4H2;3,5,8H,1-2,4H2;4-5H,1-3H2,(H,8,9,10);4-5,8H,1-3H2;4-5H,1-3H2,(H,9,10);3*3-4H,1-2,5H2;2*4-5H,1-3H2;2*2,4,8H,1,3,5H2;25*1-4H3
InChIKeyKJQLHOWLMRXKBJ-UHFFFAOYSA-N
XLogP86.23
TPSA549.62 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds
Heavy Atoms371
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005227.43
LogP ≤ 586.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Analyze bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

ethane;N-ethyl-6H-isochromeno[4,3-d]pyrimidin-2-amine;N-ethyl-8-oxa-3-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-8-oxa-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine;N-ethyl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine;N-ethyl-8-oxa-3,5,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine;N-ethyl-8-oxa-3,5,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
CID 157131122
CID 157217892
CID 157217892
N-(1-benzothiophen-3-ylmethyl)-3-methoxyquinoxalin-2-amine;N-benzyl-3-methoxyquinoxalin-2-amine;2,3-dimethoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;methane;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;1-methoxy-4-piperidin-1-ylphthalazine;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 157328925
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-amine
CID 157517196
CID 157664545
CID 157664545
CID 157727996
CID 157727996
CID 157847806
CID 157847806
CID 158113751
CID 158113751
CID 158279065
CID 158279065
CID 158583917
CID 158583917
3,4,4a,5,6,7,8,8a-octahydro-2H-chromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;6,7-dihydro-5H-thieno[3,2-b]pyran;6,7-dihydro-4H-thieno[3,2-c]pyran;octadecakis(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);4,5,6,7-tetrahydrothieno[2,3-b]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 158599647
CID 159173818
CID 159173818

Frequently Asked Questions

What is the IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 159153891) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine is C1CCC2COCCC2C1.C1CCC2OCCCC2C1.C1CCC2OCCCC2C1.C1COC2CCNCC2C1.C1COC2CNCCC2C1.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.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.c1cc2c(cn1)CCCO2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCN2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2c(s1)CCCC2.c1cc2c(s1)CCCC2.c1cc2c(s1)CCNC2.c1cc2c(s1)CNCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCN2.c1cnc2c(n1)CCCO2.c1ncc2c(n1)NCCC2.c1ncc2c(n1)OCCC2.c1nncc2c1CCCN2.c1nncc2c1CCCO2.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is KJQLHOWLMRXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16O.2C9H10O.C9H16O.3C8H9NO.C8H15NO.C8H9NO.C8H15NO.C8H9NO.2C8H10S.4C7H9N3.5C7H8N2O.2C7H9NS.25C5H12/c4*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;2*1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-4-3-8(7)10-5-1;2*1-2-7-3-4-9-6-8(7)10-5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-10-7;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-4-9-10-5-7(6)8-3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;25*1-5(2,3)4/h2*8-9H,1-7H2;2*1-2,4,6H,3,5,7H2;8-9H,1-7H2;1,4-5H,2-3,6H2;2*1,3,5H,2,4,6H2;7-9H,1-6H2;3-4,6H,1-2,5H2;7-9H,1-6H2;3-4,6H,1-2,5H2;2*5-6H,1-4H2;3,5,8H,1-2,4H2;4-5H,1-3H2,(H,8,9,10);4-5,8H,1-3H2;4-5H,1-3H2,(H,9,10);3*3-4H,1-2,5H2;2*4-5H,1-3H2;2*2,4,8H,1,3,5H2;25*1-4H3.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 5227.43 g/mol, XLogP of 86.23, 0 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 159153891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).