benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline

C97H171N9O2 — CID 159396834

IUPACbenzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccc1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C7H11N.C6H6.C5H5N.C4H6N2.6C4H10.8C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-2-6-9-8(4-1)5-3-7-10-9;1-10-8-5-3-2-4-7(8)6-9-10;1-2-4-8-7(3-1)9-5-6-10-8;1-7(2)8-5-3-4-6-8;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;6*1-4(2)3;8*1-2/h3-8H,1-2H3;1-7H;2-6H,1H3;1-4H,5-6H2;3-7H,1-2H3;1-6H;1-5H;2-4H,1H3;6*4H,1-3H3;8*1-2H3
InChIKeyLMVFOUMJOHJOLB-UHFFFAOYSA-N
MW1495.50 g/mol
LogP31.32
Rot. Bonds2

About benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline

benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline (PubChem CID 159396834) has the molecular formula C97H171N9O2 and a molecular weight of 1495.50 g/mol. Its IUPAC name is benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline.

Molecular Properties

Compound Namebenzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline
PubChem CID159396834
Molecular FormulaC97H171N9O2
Molecular Weight1495.50 g/mol
Exact Mass1494.36
IUPAC Namebenzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccc1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C7H11N.C6H6.C5H5N.C4H6N2.6C4H10.8C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-2-6-9-8(4-1)5-3-7-10-9;1-10-8-5-3-2-4-7(8)6-9-10;1-2-4-8-7(3-1)9-5-6-10-8;1-7(2)8-5-3-4-6-8;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;6*1-4(2)3;8*1-2/h3-8H,1-2H3;1-7H;2-6H,1H3;1-4H,5-6H2;3-7H,1-2H3;1-6H;1-5H;2-4H,1H3;6*4H,1-3H3;8*1-2H3
InChIKeyLMVFOUMJOHJOLB-UHFFFAOYSA-N
XLogP31.32
TPSA102.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001495.50
LogP ≤ 531.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-6-methoxyquinoline
CID 44425384
4-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]-6-methoxyquinoline
CID 44425385
2-[[4-(1-Methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline
CID 69223834
[18-Methoxy-19-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaen-10-yl]methanol
CID 131978534
[19-Methoxy-18-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaen-10-yl]methanol
CID 131978787
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
CID 157329529
Methane;[18-methoxy-19-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaen-10-yl]methanol
CID 157540463
2,3-Dihydro-1,4-benzodioxine;ethane;1-methylindazole;tris(2-methylpropane);1-propan-2-ylindazole;quinoline
CID 157619123
10-(3-indazol-1-ylbenzene-2-id-1-yl)-2-pyrazol-1-yl-1H-phenoxazin-1-ide;10-(3-indazol-1-ylbenzene-2-id-1-yl)-2-pyridin-2-yl-1H-phenoxazin-1-ide;2-indazol-1-yl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;2-indazol-1-yl-10-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;tetrakis(platinum(2+))
CID 158348078
Benzene;2,3-dihydro-1,4-benzodioxine;ethane;bis(1-methylindazole);hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylpyrrole;pyridine;quinoline
CID 158533329
2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline
CID 158551399
9-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;2-(4-carbazol-9-ylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-(4-carbazol-9-ylpyrazol-1-yl)-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum;bis(platinum(2+))
CID 158571660

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline?
The IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline (CID 159396834) is benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline.
What is the SMILES notation for benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline?
The canonical SMILES for benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccc1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline?
The InChIKey is LMVFOUMJOHJOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C7H11N.C6H6.C5H5N.C4H6N2.6C4H10.8C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-2-6-9-8(4-1)5-3-7-10-9;1-10-8-5-3-2-4-7(8)6-9-10;1-2-4-8-7(3-1)9-5-6-10-8;1-7(2)8-5-3-4-6-8;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;6*1-4(2)3;8*1-2/h3-8H,1-2H3;1-7H;2-6H,1H3;1-4H,5-6H2;3-7H,1-2H3;1-6H;1-5H;2-4H,1H3;6*4H,1-3H3;8*1-2H3.
What are the key properties of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline?
benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline has a molecular weight of 1495.50 g/mol, XLogP of 31.32, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline is sourced from PubChem (CID 159396834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).