benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene

C214H461N11O2S2 — CID 159335898

About benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene

benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene (PubChem CID 159335898) has the molecular formula C214H461N11O2S2 and a molecular weight of 3285.25 g/mol. Its IUPAC name is benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene
• PubChem CID: 159335898
• Molecular Formula: C214H461N11O2S2
• Molecular Weight: 3285.25 g/mol
• Exact Mass: 3282.58
• IUPAC Name: benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene
• SMILES: C1=CCCC1.C1=CCCCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCN.c1c[nH]cn1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cscn1
• InChI: InChI=1S/C9H7N.16C7H16.C6H10.C6H6.C5H11N.C5H5N.C5H10.C5H8.C4H10N2.C4H9NO.C4H9N.C4H4O.C4H4S.C3H4N2.C3H3NS.C3H9N.16C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;16*1-4-5-6-7(2)3;4*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-3-4;16*1-2/h1-7H;16*7H,4-6H2,1-3H3;1-2H,3-6H2;1-6H;6H,1-5H2;1-5H;1-5H2;1-2H,3-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;2*1-4H;1-3H,(H,4,5);1-3H;2-4H2,1H3;16*1-2H3
• InChIKey: LFNJOHRHIPRMNV-UHFFFAOYSA-N
• XLogP: 77.39
• TPSA: 175.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 49
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3285.25
LogP ≤ 5	77.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene?

The IUPAC name of benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene (CID 159335898) is benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene.

What is the SMILES notation for benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene?

The canonical SMILES for benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene is C1=CCCC1.C1=CCCCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCN.c1c[nH]cn1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cscn1.

What is the InChIKey of benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene?

The InChIKey is LFNJOHRHIPRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.16C7H16.C6H10.C6H6.C5H11N.C5H5N.C5H10.C5H8.C4H10N2.C4H9NO.C4H9N.C4H4O.C4H4S.C3H4N2.C3H3NS.C3H9N.16C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;16*1-4-5-6-7(2)3;4*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-3-4;16*1-2/h1-7H;16*7H,4-6H2,1-3H3;1-2H,3-6H2;1-6H;6H,1-5H2;1-5H;1-5H2;1-2H,3-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;2*1-4H;1-3H,(H,4,5);1-3H;2-4H2,1H3;16*1-2H3.

What are the key properties of benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene?

benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene has a molecular weight of 3285.25 g/mol, XLogP of 77.39, 49 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene is sourced from PubChem (CID 159335898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).