1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)
C322H421N19O18S12 — CID 158866848
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)
SMILESC1=CCc2ccccc2N=C1.C1=CNc2ccccc2C=C1.C1=COc2ccccc2C1.C1=CSc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2CS1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2ccsc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=Cc2sccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.O=S1(=O)CC=Cc2ccccc21
InChIInChI=1S/2C10H9N.6C9H8O2S.3C9H8O.3C9H8S.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.3C7H6S.32C2H6/c2*1-2-7-10-9(5-1)6-3-4-8-11-10;4*10-12(11)7-3-5-8-4-1-2-6-9(8)12;2*10-12(11)6-5-8-3-1-2-4-9(8)7-12;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-4-5-8-9-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;32*1-2/h1-5,7-8H,6H2;1-8,11H;2*1-4,6-7H,5H2;4*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;1-2,4-5,8H,3H2;1,3-5,8H,2H2;1-2,4-5,8H,3H2;1-2,4-5H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;32*1-2H3
InChIKeyJBINRSTZOXCZSJ-UHFFFAOYSA-N
MW5230.83 g/mol
LogP91.24
Rot. Bonds
About 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)
1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) (PubChem CID 158866848) has the molecular formula C322H421N19O18S12 and a molecular weight of 5230.83 g/mol. Its IUPAC name is 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide).
Molecular Properties
| Compound Name | 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) |
|---|---|
| PubChem CID | 158866848 |
| Molecular Formula | C322H421N19O18S12 |
| Molecular Weight | 5230.83 g/mol |
| Exact Mass | 5225.93 |
| IUPAC Name | 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) |
| SMILES | C1=CCc2ccccc2N=C1.C1=CNc2ccccc2C=C1.C1=COc2ccccc2C1.C1=CSc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2CS1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2ccsc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=Cc2sccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.O=S1(=O)CC=Cc2ccccc21 |
| InChI | InChI=1S/2C10H9N.6C9H8O2S.3C9H8O.3C9H8S.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.3C7H6S.32C2H6/c2*1-2-7-10-9(5-1)6-3-4-8-11-10;4*10-12(11)7-3-5-8-4-1-2-6-9(8)12;2*10-12(11)6-5-8-3-1-2-4-9(8)7-12;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-4-5-8-9-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;32*1-2/h1-5,7-8H,6H2;1-8,11H;2*1-4,6-7H,5H2;4*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;1-2,4-5,8H,3H2;1,3-5,8H,2H2;1-2,4-5,8H,3H2;1-2,4-5H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;32*1-2H3 |
| InChIKey | JBINRSTZOXCZSJ-UHFFFAOYSA-N |
| XLogP | 91.24 |
| TPSA | 524.17 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | |
| Heavy Atoms | 371 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5230.83 |
| LogP ≤ 5 | 91.24 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 40 |
Frequently Asked Questions
What is the IUPAC name of 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)?
The IUPAC name of 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) (CID 158866848) is 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide).
What is the SMILES notation for 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)?
The canonical SMILES for 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) is C1=CCc2ccccc2N=C1.C1=CNc2ccccc2C=C1.C1=COc2ccccc2C1.C1=CSc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2CS1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2ccsc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=Cc2sccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.O=S1(=O)CC=Cc2ccccc21.
What is the InChIKey of 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)?
The InChIKey is JBINRSTZOXCZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.6C9H8O2S.3C9H8O.3C9H8S.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.3C7H6S.32C2H6/c2*1-2-7-10-9(5-1)6-3-4-8-11-10;4*10-12(11)7-3-5-8-4-1-2-6-9(8)12;2*10-12(11)6-5-8-3-1-2-4-9(8)7-12;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-4-5-8-9-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;32*1-2/h1-5,7-8H,6H2;1-8,11H;2*1-4,6-7H,5H2;4*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;1-2,4-5,8H,3H2;1,3-5,8H,2H2;1-2,4-5,8H,3H2;1-2,4-5H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;32*1-2H3.
What are the key properties of 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide)?
1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) has a molecular weight of 5230.83 g/mol, XLogP of 91.24, 0 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1-benzazepine;5H-1-benzazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;bis(1H-isothiochromene 2,2-dioxide);2H-thiochromene;4H-thiochromene;bis(2H-thiochromene 1,1-dioxide);bis(4H-thiochromene 1,1-dioxide) is sourced from PubChem (CID 158866848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158866848 — identifiers, structure, computed properties (public domain)
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