3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene

C177H279N45O6 — CID 157489071

IUPAC3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene
SMILESC.C.C.C.C.C.C.C.C.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)-c1cc[nH]c1CO2.c1cc2c(cn1)OCc1[nH]ccc1-2.c1cc2c(nn1)-c1nc[nH]c1CN2.c1cc2c(nn1)NCc1[nH]cnc1-2.c1ccc2c(c1)OCc1[nH]ccc1-2.c1cnc2c(c1)OCc1[nH]ccc1-2.c1cnc2c(n1)NCc1[nH]cnc1-2.c1cnc2c(n1)OCc1[nH]cnc1-2.c1nc2c([nH]1)CNc1cnncc1-2.c1ncc2c(n1)-c1nc[nH]c1CN2.c1ncc2c(n1)NCc1[nH]cnc1-2.c1ncc2c(n1)OCc1[nH]cnc1-2
InChIInChI=1S/C11H9NO.3C10H8N2O.6C8H7N5.2C8H6N4O.12C5H12.12CH4/c1-2-4-11-9(3-1)8-5-6-12-10(8)7-13-11;1-4-12-9-6-13-10-2-3-11-5-8(10)7(1)9;1-3-11-5-10-8(1)7-2-4-12-9(7)6-13-10;1-2-9-10(12-4-1)7-3-5-11-8(7)6-13-9;1-5-6(3-13-12-1)9-2-7-8(5)11-4-10-7;1-5-7(12-3-9-1)8-6(2-10-5)11-4-13-8;1-5-7-6(11-4-12-7)2-10-8(5)13-3-9-1;1-2-10-8-7(9-1)6-5(3-11-8)12-4-13-6;1-2-12-13-8-5(1)9-3-6-7(8)11-4-10-6;1-2-12-13-8-5(1)7-6(3-9-8)10-4-11-7;1-5-7-6(10-4-11-7)2-13-8(5)12-3-9-1;1-2-10-8-7(9-1)6-5(3-13-8)11-4-12-6;12*1-5(2,3)4;;;;;;;;;;;;/h1-6,12H,7H2;2*1-5,12H,6H2;1-5,11H,6H2;1,3-4,9H,2H2,(H,10,11);1,3-4,10H,2H2,(H,11,13);1,3-4H,2H2,(H,11,12)(H,9,10,13);1-2,4H,3H2,(H,10,11)(H,12,13);1-2,4,9H,3H2,(H,10,11);1-2,4H,3H2,(H,9,13)(H,10,11);1,3-4H,2H2,(H,10,11);1-2,4H,3H2,(H,11,12);12*1-4H3;12*1H4
InChIKeyBXBBWARMBYSDFC-UHFFFAOYSA-N
MW3133.49 g/mol
LogP47.01
Rot. Bonds

About 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene

3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene (PubChem CID 157489071) has the molecular formula C177H279N45O6 and a molecular weight of 3133.49 g/mol. Its IUPAC name is 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene.

Molecular Properties

Compound Name3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene
PubChem CID157489071
Molecular FormulaC177H279N45O6
Molecular Weight3133.49 g/mol
Exact Mass3131.29
IUPAC Name3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene
SMILESC.C.C.C.C.C.C.C.C.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)-c1cc[nH]c1CO2.c1cc2c(cn1)OCc1[nH]ccc1-2.c1cc2c(nn1)-c1nc[nH]c1CN2.c1cc2c(nn1)NCc1[nH]cnc1-2.c1ccc2c(c1)OCc1[nH]ccc1-2.c1cnc2c(c1)OCc1[nH]ccc1-2.c1cnc2c(n1)NCc1[nH]cnc1-2.c1cnc2c(n1)OCc1[nH]cnc1-2.c1nc2c([nH]1)CNc1cnncc1-2.c1ncc2c(n1)-c1nc[nH]c1CN2.c1ncc2c(n1)NCc1[nH]cnc1-2.c1ncc2c(n1)OCc1[nH]cnc1-2
InChIInChI=1S/C11H9NO.3C10H8N2O.6C8H7N5.2C8H6N4O.12C5H12.12CH4/c1-2-4-11-9(3-1)8-5-6-12-10(8)7-13-11;1-4-12-9-6-13-10-2-3-11-5-8(10)7(1)9;1-3-11-5-10-8(1)7-2-4-12-9(7)6-13-10;1-2-9-10(12-4-1)7-3-5-11-8(7)6-13-9;1-5-6(3-13-12-1)9-2-7-8(5)11-4-10-7;1-5-7(12-3-9-1)8-6(2-10-5)11-4-13-8;1-5-7-6(11-4-12-7)2-10-8(5)13-3-9-1;1-2-10-8-7(9-1)6-5(3-11-8)12-4-13-6;1-2-12-13-8-5(1)9-3-6-7(8)11-4-10-6;1-2-12-13-8-5(1)7-6(3-9-8)10-4-11-7;1-5-7-6(10-4-11-7)2-13-8(5)12-3-9-1;1-2-10-8-7(9-1)6-5(3-13-8)11-4-12-6;12*1-5(2,3)4;;;;;;;;;;;;/h1-6,12H,7H2;2*1-5,12H,6H2;1-5,11H,6H2;1,3-4,9H,2H2,(H,10,11);1,3-4,10H,2H2,(H,11,13);1,3-4H,2H2,(H,11,12)(H,9,10,13);1-2,4H,3H2,(H,10,11)(H,12,13);1-2,4,9H,3H2,(H,10,11);1-2,4H,3H2,(H,9,13)(H,10,11);1,3-4H,2H2,(H,10,11);1-2,4H,3H2,(H,11,12);12*1-4H3;12*1H4
InChIKeyBXBBWARMBYSDFC-UHFFFAOYSA-N
XLogP47.01
TPSA665.07 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.49
LogP ≤ 547.01
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Analyze 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene?
The IUPAC name of 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene (CID 157489071) is 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene.
What is the SMILES notation for 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene?
The canonical SMILES for 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene is C.C.C.C.C.C.C.C.C.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)-c1cc[nH]c1CO2.c1cc2c(cn1)OCc1[nH]ccc1-2.c1cc2c(nn1)-c1nc[nH]c1CN2.c1cc2c(nn1)NCc1[nH]cnc1-2.c1ccc2c(c1)OCc1[nH]ccc1-2.c1cnc2c(c1)OCc1[nH]ccc1-2.c1cnc2c(n1)NCc1[nH]cnc1-2.c1cnc2c(n1)OCc1[nH]cnc1-2.c1nc2c([nH]1)CNc1cnncc1-2.c1ncc2c(n1)-c1nc[nH]c1CN2.c1ncc2c(n1)NCc1[nH]cnc1-2.c1ncc2c(n1)OCc1[nH]cnc1-2.
What is the InChIKey of 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene?
The InChIKey is BXBBWARMBYSDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.3C10H8N2O.6C8H7N5.2C8H6N4O.12C5H12.12CH4/c1-2-4-11-9(3-1)8-5-6-12-10(8)7-13-11;1-4-12-9-6-13-10-2-3-11-5-8(10)7(1)9;1-3-11-5-10-8(1)7-2-4-12-9(7)6-13-10;1-2-9-10(12-4-1)7-3-5-11-8(7)6-13-9;1-5-6(3-13-12-1)9-2-7-8(5)11-4-10-7;1-5-7(12-3-9-1)8-6(2-10-5)11-4-13-8;1-5-7-6(11-4-12-7)2-10-8(5)13-3-9-1;1-2-10-8-7(9-1)6-5(3-11-8)12-4-13-6;1-2-12-13-8-5(1)9-3-6-7(8)11-4-10-6;1-2-12-13-8-5(1)7-6(3-9-8)10-4-11-7;1-5-7-6(10-4-11-7)2-13-8(5)12-3-9-1;1-2-10-8-7(9-1)6-5(3-13-8)11-4-12-6;12*1-5(2,3)4;;;;;;;;;;;;/h1-6,12H,7H2;2*1-5,12H,6H2;1-5,11H,6H2;1,3-4,9H,2H2,(H,10,11);1,3-4,10H,2H2,(H,11,13);1,3-4H,2H2,(H,11,12)(H,9,10,13);1-2,4H,3H2,(H,10,11)(H,12,13);1-2,4,9H,3H2,(H,10,11);1-2,4H,3H2,(H,9,13)(H,10,11);1,3-4H,2H2,(H,10,11);1-2,4H,3H2,(H,11,12);12*1-4H3;12*1H4.
What are the key properties of 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene?
3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene has a molecular weight of 3133.49 g/mol, XLogP of 47.01, 0 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydrochromeno[3,4-b]pyrrole;dodecakis(2,2-dimethylpropane);methane;8-oxa-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,12-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-5,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene;3,5,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene;3,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene is sourced from PubChem (CID 157489071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).