benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene

C210H433N19O4S2 — CID 157287225

IUPACbenzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=NCCc2ccccc21.C1CCCCC1.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.CN1CCCCC1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.O=C1CCCN1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCNC2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C10H12.C9H9N.C9H7N.C9H11N.C9H9N.C9H7N.C8H8N2.C6H13N.C6H12.C6H6.C5H5N.C4H4N2.C4H7NO.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS.37C2H6.19CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-9-7-4-2-3-5-8(7)10;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-2-5-4-6-3-1;6-4-2-1-3-5-4;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;37*1-2;;;;;;;;;;;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;2-7H,1H3;1-7H;1-4,10H,5-7H2;1-4,7H,5-6H2;1-7H;2-6H,1H3;2-6H2,1H3;1-6H2;1-6H;1-5H;1-4H;1-3H2,(H,5,6);2*1-4H;2*1-3H,(H,4,5);3*1-3H;37*1-2H3;19*1H4
InChIKeyBAJJQQNHDGNSCE-UHFFFAOYSA-N
MW3353.04 g/mol
LogP76.76
Rot. Bonds

About benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene

benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene (PubChem CID 157287225) has the molecular formula C210H433N19O4S2 and a molecular weight of 3353.04 g/mol. Its IUPAC name is benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene
PubChem CID157287225
Molecular FormulaC210H433N19O4S2
Molecular Weight3353.04 g/mol
Exact Mass3350.37
IUPAC Namebenzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=NCCc2ccccc21.C1CCCCC1.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.CN1CCCCC1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.O=C1CCCN1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCNC2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C10H12.C9H9N.C9H7N.C9H11N.C9H9N.C9H7N.C8H8N2.C6H13N.C6H12.C6H6.C5H5N.C4H4N2.C4H7NO.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS.37C2H6.19CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-9-7-4-2-3-5-8(7)10;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-2-5-4-6-3-1;6-4-2-1-3-5-4;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;37*1-2;;;;;;;;;;;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;2-7H,1H3;1-7H;1-4,10H,5-7H2;1-4,7H,5-6H2;1-7H;2-6H,1H3;2-6H2,1H3;1-6H2;1-6H;1-5H;1-4H;1-3H2,(H,5,6);2*1-4H;2*1-3H,(H,4,5);3*1-3H;37*1-2H3;19*1H4
InChIKeyBAJJQQNHDGNSCE-UHFFFAOYSA-N
XLogP76.76
TPSA279.38 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003353.04
LogP ≤ 576.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene?
The IUPAC name of benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene (CID 157287225) is benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene?
The canonical SMILES for benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=NCCc2ccccc21.C1CCCCC1.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.CN1CCCCC1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.O=C1CCCN1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCNC2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene?
The InChIKey is BAJJQQNHDGNSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H9N.C9H7N.C9H11N.C9H9N.C9H7N.C8H8N2.C6H13N.C6H12.C6H6.C5H5N.C4H4N2.C4H7NO.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS.37C2H6.19CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-9-7-4-2-3-5-8(7)10;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-2-5-4-6-3-1;6-4-2-1-3-5-4;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;37*1-2;;;;;;;;;;;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;2-7H,1H3;1-7H;1-4,10H,5-7H2;1-4,7H,5-6H2;1-7H;2-6H,1H3;2-6H2,1H3;1-6H2;1-6H;1-5H;1-4H;1-3H2,(H,5,6);2*1-4H;2*1-3H,(H,4,5);3*1-3H;37*1-2H3;19*1H4.
What are the key properties of benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene?
benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene has a molecular weight of 3353.04 g/mol, XLogP of 76.76, 0 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;isoquinoline;methane;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene is sourced from PubChem (CID 157287225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).