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

C99H182N10O2 — CID 167678200

IUPACbenzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline
SMILESC.C.C.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)n1cccn1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C6H10N2.C6H6.C5H5N.C4H6N2.6C4H10.8C2H6.3CH4/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;1-6(2)8-5-3-4-7-8;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;3-6H,1-2H3;1-6H;1-5H;2-4H,1H3;6*4H,1-3H3;8*1-2H3;3*1H4
InChIKeyVDBJGNDLQWLDFD-UHFFFAOYSA-N
MW1544.61 g/mol
LogP32.63
Rot. Bonds2

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

benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline (PubChem CID 167678200) has the molecular formula C99H182N10O2 and a molecular weight of 1544.61 g/mol. Its IUPAC name is benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline.

Molecular Properties

Compound Namebenzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline
PubChem CID167678200
Molecular FormulaC99H182N10O2
Molecular Weight1544.61 g/mol
Exact Mass1543.44
IUPAC Namebenzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline
SMILESC.C.C.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)n1cccn1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C6H10N2.C6H6.C5H5N.C4H6N2.6C4H10.8C2H6.3CH4/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;1-6(2)8-5-3-4-7-8;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;3-6H,1-2H3;1-6H;1-5H;2-4H,1H3;6*4H,1-3H3;8*1-2H3;3*1H4
InChIKeyVDBJGNDLQWLDFD-UHFFFAOYSA-N
XLogP32.63
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001544.61
LogP ≤ 532.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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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
10-Methoxypyrido[1,2-b]indazole
CID 139041187
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
3-[2-[3-[2-[6-(3-Methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline
CID 142438967
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
1,3-Benzodioxole;3-tert-butylpyrazolo[1,5-a]pyridine;2,3-dihydro-1,4-benzodioxine;bis(2-methylpropane)
CID 158330998
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

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline?
The IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline (CID 167678200) is benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline.
What is the SMILES notation for benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline?
The canonical SMILES for benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline is C.C.C.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)n1cccn1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline?
The InChIKey is VDBJGNDLQWLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C6H10N2.C6H6.C5H5N.C4H6N2.6C4H10.8C2H6.3CH4/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;1-6(2)8-5-3-4-7-8;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;3-6H,1-2H3;1-6H;1-5H;2-4H,1H3;6*4H,1-3H3;8*1-2H3;3*1H4.
What are the key properties of benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline?
benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline has a molecular weight of 1544.61 g/mol, XLogP of 32.63, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline is sourced from PubChem (CID 167678200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).