bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline

C227H246N8O2 — CID 158720677

IUPACbis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(=O)c1cccc(-c2ccccc2C(C)C)c1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc2cc3ccccc3nc12.CC(C)c1ccccc1-c1cccc(O)c1.CC(C)c1ccccc1-c1ccccc1.Cc1ccc(C(C)C)c2ncccc12.Cc1ccc2cccc(C(C)C)c2n1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/C17H18O.C16H15N.2C16H18.C15H16O.3C15H16.C14H15N.3C13H15N.C13H14.3C12H13N/c1-12(2)16-9-4-5-10-17(16)15-8-6-7-14(11-15)13(3)18;1-11(2)14-8-5-7-13-10-12-6-3-4-9-15(12)17-16(13)14;2*1-12(2)15-9-4-5-10-16(15)14-8-6-7-13(3)11-14;1-11(2)14-8-3-4-9-15(14)12-6-5-7-13(16)10-12;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12;1-9(2)11-5-4-6-12-10(3)7-8-14-13(11)12;1-9(2)12-6-4-5-11-8-7-10(3)14-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h4-12H,1-3H3;3-11H,1-2H3;2*4-12H,1-3H3;3-11,16H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3*4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3
InChIKeyIJWLHXFWZGHEQM-UHFFFAOYSA-N
MW3118.52 g/mol
LogP65.29
Rot. Bonds25

About bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline

bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline (PubChem CID 158720677) has the molecular formula C227H246N8O2 and a molecular weight of 3118.52 g/mol. Its IUPAC name is bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline.

Molecular Properties

Compound Namebis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline
PubChem CID158720677
Molecular FormulaC227H246N8O2
Molecular Weight3118.52 g/mol
Exact Mass3115.94
IUPAC Namebis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(=O)c1cccc(-c2ccccc2C(C)C)c1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc2cc3ccccc3nc12.CC(C)c1ccccc1-c1cccc(O)c1.CC(C)c1ccccc1-c1ccccc1.Cc1ccc(C(C)C)c2ncccc12.Cc1ccc2cccc(C(C)C)c2n1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/C17H18O.C16H15N.2C16H18.C15H16O.3C15H16.C14H15N.3C13H15N.C13H14.3C12H13N/c1-12(2)16-9-4-5-10-17(16)15-8-6-7-14(11-15)13(3)18;1-11(2)14-8-5-7-13-10-12-6-3-4-9-15(12)17-16(13)14;2*1-12(2)15-9-4-5-10-16(15)14-8-6-7-13(3)11-14;1-11(2)14-8-3-4-9-15(14)12-6-5-7-13(16)10-12;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12;1-9(2)11-5-4-6-12-10(3)7-8-14-13(11)12;1-9(2)12-6-4-5-11-8-7-10(3)14-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h4-12H,1-3H3;3-11H,1-2H3;2*4-12H,1-3H3;3-11,16H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3*4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3
InChIKeyIJWLHXFWZGHEQM-UHFFFAOYSA-N
XLogP65.29
TPSA140.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms237
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003118.52
LogP ≤ 565.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The IUPAC name of bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline (CID 158720677) is bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline.
What is the SMILES notation for bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The canonical SMILES for bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline is CC(=O)c1cccc(-c2ccccc2C(C)C)c1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc2cc3ccccc3nc12.CC(C)c1ccccc1-c1cccc(O)c1.CC(C)c1ccccc1-c1ccccc1.Cc1ccc(C(C)C)c2ncccc12.Cc1ccc2cccc(C(C)C)c2n1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1ccnc2c(C(C)C)cccc12.
What is the InChIKey of bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The InChIKey is IJWLHXFWZGHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.C16H15N.2C16H18.C15H16O.3C15H16.C14H15N.3C13H15N.C13H14.3C12H13N/c1-12(2)16-9-4-5-10-17(16)15-8-6-7-14(11-15)13(3)18;1-11(2)14-8-5-7-13-10-12-6-3-4-9-15(12)17-16(13)14;2*1-12(2)15-9-4-5-10-16(15)14-8-6-7-13(3)11-14;1-11(2)14-8-3-4-9-15(14)12-6-5-7-13(16)10-12;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12;1-9(2)11-5-4-6-12-10(3)7-8-14-13(11)12;1-9(2)12-6-4-5-11-8-7-10(3)14-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h4-12H,1-3H3;3-11H,1-2H3;2*4-12H,1-3H3;3-11,16H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3*4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3.
What are the key properties of bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline has a molecular weight of 3118.52 g/mol, XLogP of 65.29, 25 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylacridine;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-(2-propan-2-ylphenyl)phenol;1-[3-(2-propan-2-ylphenyl)phenyl]ethanone;2-(3-propan-2-ylphenyl)pyridine;6-propan-2-ylquinoline;7-propan-2-ylquinoline is sourced from PubChem (CID 158720677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).