1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide

C400H517N43O12S3 — CID 159497366

IUPAC1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide
SMILESC1=CCc2ccccc2N=C1.C1=CN=Cc2ccccc2C1.C1=CNc2ccccc2C=C1.C1=CNc2ccccc2C=N1.C1=CNc2ccccc2N=C1.C1=COc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2C=CC1.C1=Cc2ccccc2CC=N1.C1=Cc2ccccc2CN=C1.C1=Cc2ccccc2CN=N1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2N=CC1.C1=Cc2ccccc2NC=N1.C1=Cc2ccccc2OC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=NC=Nc2ccccc2C1.C1=NCC=Nc2ccccc21.C1=NCc2ccccc2N=C1.C1=NN=Cc2ccccc2C1.C1=Nc2ccccc2N=CC1.C1=Nc2ccccc2N=CC1.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.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21
InChIInChI=1S/C11H10.6C10H9N.10C9H8N2.3C9H8O2S.3C9H8O.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.38C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;3*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;3*1-2-5-9-8(4-1)10-6-3-7-11-9;3*1-2-4-9-8(3-1)7-10-5-6-11-9;2*1-2-4-9-8(3-1)5-6-10-7-11-9;2*1-2-4-9-7-11-10-6-5-8(9)3-1;2*10-12(11)7-3-5-8-4-1-2-6-9(8)12;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*1-3-7-4-2-6-9-8(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;38*1-2/h2-9H,1H2;1-3,5-8H,4H2;1-5,7-8H,6H2;1-8,11H;1-5,7-8H,6H2;1-7H,8H2;1-5,7-8H,6H2;2*1-2,4-7H,3H2;1-7,10H;1-4,6-7H,5H2;1-6H,7H2;1-7,11H;1-4,6-7H,5H2;1-7H,(H,10,11);1-4,6-7H,5H2;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;1-2,4-5H,3H2;38*1-2H3
InChIKeyLYYJSZMEXMMREO-UHFFFAOYSA-N
MW6216.03 g/mol
LogP111.42
Rot. Bonds

About 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide

1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide (PubChem CID 159497366) has the molecular formula C400H517N43O12S3 and a molecular weight of 6216.03 g/mol. Its IUPAC name is 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide
PubChem CID159497366
Molecular FormulaC400H517N43O12S3
Molecular Weight6216.03 g/mol
Exact Mass6211.03
IUPAC Name1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide
SMILESC1=CCc2ccccc2N=C1.C1=CN=Cc2ccccc2C1.C1=CNc2ccccc2C=C1.C1=CNc2ccccc2C=N1.C1=CNc2ccccc2N=C1.C1=COc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2C=CC1.C1=Cc2ccccc2CC=N1.C1=Cc2ccccc2CN=C1.C1=Cc2ccccc2CN=N1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2N=CC1.C1=Cc2ccccc2NC=N1.C1=Cc2ccccc2OC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=NC=Nc2ccccc2C1.C1=NCC=Nc2ccccc21.C1=NCc2ccccc2N=C1.C1=NN=Cc2ccccc2C1.C1=Nc2ccccc2N=CC1.C1=Nc2ccccc2N=CC1.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.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21
InChIInChI=1S/C11H10.6C10H9N.10C9H8N2.3C9H8O2S.3C9H8O.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.38C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;3*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;3*1-2-5-9-8(4-1)10-6-3-7-11-9;3*1-2-4-9-8(3-1)7-10-5-6-11-9;2*1-2-4-9-8(3-1)5-6-10-7-11-9;2*1-2-4-9-7-11-10-6-5-8(9)3-1;2*10-12(11)7-3-5-8-4-1-2-6-9(8)12;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*1-3-7-4-2-6-9-8(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;38*1-2/h2-9H,1H2;1-3,5-8H,4H2;1-5,7-8H,6H2;1-8,11H;1-5,7-8H,6H2;1-7H,8H2;1-5,7-8H,6H2;2*1-2,4-7H,3H2;1-7,10H;1-4,6-7H,5H2;1-6H,7H2;1-7,11H;1-4,6-7H,5H2;1-7H,(H,10,11);1-4,6-7H,5H2;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;1-2,4-5H,3H2;38*1-2H3
InChIKeyLYYJSZMEXMMREO-UHFFFAOYSA-N
XLogP111.42
TPSA717.40 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds
Heavy Atoms458
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006216.03
LogP ≤ 5111.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide?
The IUPAC name of 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide (CID 159497366) is 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide.
What is the SMILES notation for 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide?
The canonical SMILES for 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide is C1=CCc2ccccc2N=C1.C1=CN=Cc2ccccc2C1.C1=CNc2ccccc2C=C1.C1=CNc2ccccc2C=N1.C1=CNc2ccccc2N=C1.C1=COc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2C=CC1.C1=Cc2ccccc2CC=N1.C1=Cc2ccccc2CN=C1.C1=Cc2ccccc2CN=N1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2N=CC1.C1=Cc2ccccc2NC=N1.C1=Cc2ccccc2OC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=NC=Nc2ccccc2C1.C1=NCC=Nc2ccccc21.C1=NCc2ccccc2N=C1.C1=NN=Cc2ccccc2C1.C1=Nc2ccccc2N=CC1.C1=Nc2ccccc2N=CC1.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.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.
What is the InChIKey of 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide?
The InChIKey is LYYJSZMEXMMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.6C10H9N.10C9H8N2.3C9H8O2S.3C9H8O.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.38C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;3*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;3*1-2-5-9-8(4-1)10-6-3-7-11-9;3*1-2-4-9-8(3-1)7-10-5-6-11-9;2*1-2-4-9-8(3-1)5-6-10-7-11-9;2*1-2-4-9-7-11-10-6-5-8(9)3-1;2*10-12(11)7-3-5-8-4-1-2-6-9(8)12;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*1-3-7-4-2-6-9-8(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;38*1-2/h2-9H,1H2;1-3,5-8H,4H2;1-5,7-8H,6H2;1-8,11H;1-5,7-8H,6H2;1-7H,8H2;1-5,7-8H,6H2;2*1-2,4-7H,3H2;1-7,10H;1-4,6-7H,5H2;1-6H,7H2;1-7,11H;1-4,6-7H,5H2;1-7H,(H,10,11);1-4,6-7H,5H2;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;1-2,4-5H,3H2;38*1-2H3.
What are the key properties of 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide?
1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide has a molecular weight of 6216.03 g/mol, XLogP of 111.42, 0 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1-benzazepine;1H-2-benzazepine;1H-3-benzazepine;3H-1-benzazepine;5H-1-benzazepine;5H-2-benzazepine;7H-benzo[7]annulene;1H-1,3-benzodiazepine;1H-1,4-benzodiazepine;1H-1,5-benzodiazepine;1H-2,3-benzodiazepine;3H-1,4-benzodiazepine;bis(3H-1,5-benzodiazepine);5H-1,3-benzodiazepine;5H-1,4-benzodiazepine;5H-2,3-benzodiazepine;2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;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 2,2-dioxide;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide is sourced from PubChem (CID 159497366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).