hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline

C231H253N7O2 — CID 159357518

IUPAChexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(=O)c1cccc(-c2ccccc2C(C)C)c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2cc3ccccc3nc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1-c1cccc(O)c1.Cc1ccc2cccc(C(C)C)c2n1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/C17H18O.C16H15N.6C16H18.C15H16O.2C13H15N.C13H14.4C12H13N/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;6*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;1-9(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)11-7-3-5-10-6-4-8-13-12(10)11;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;6*4-12H,1-3H3;3-11,16H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3;4*3-9H,1-2H3
InChIKeyLICNNZUNASZPIK-UHFFFAOYSA-N
MW3159.61 g/mol
LogP66.82
Rot. Bonds25

About hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline

hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 159357518) has the molecular formula C231H253N7O2 and a molecular weight of 3159.61 g/mol. Its IUPAC name is hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

Compound Namehexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline
PubChem CID159357518
Molecular FormulaC231H253N7O2
Molecular Weight3159.61 g/mol
Exact Mass3156.99
IUPAC Namehexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(=O)c1cccc(-c2ccccc2C(C)C)c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2cc3ccccc3nc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1-c1cccc(O)c1.Cc1ccc2cccc(C(C)C)c2n1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1ccnc2c(C(C)C)cccc12
InChIInChI=1S/C17H18O.C16H15N.6C16H18.C15H16O.2C13H15N.C13H14.4C12H13N/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;6*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;1-9(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)11-7-3-5-10-6-4-8-13-12(10)11;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;6*4-12H,1-3H3;3-11,16H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3;4*3-9H,1-2H3
InChIKeyLICNNZUNASZPIK-UHFFFAOYSA-N
XLogP66.82
TPSA127.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003159.61
LogP ≤ 566.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?
The IUPAC name of hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 159357518) is hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline.
What is the SMILES notation for hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?
The canonical SMILES for hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline is CC(=O)c1cccc(-c2ccccc2C(C)C)c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2cc3ccccc3nc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1-c1cccc(O)c1.Cc1ccc2cccc(C(C)C)c2n1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1cccc(-c2ccccc2C(C)C)c1.Cc1ccnc2c(C(C)C)cccc12.
What is the InChIKey of hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?
The InChIKey is LICNNZUNASZPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.C16H15N.6C16H18.C15H16O.2C13H15N.C13H14.4C12H13N/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;6*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;1-9(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)11-7-3-5-10-6-4-8-13-12(10)11;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;6*4-12H,1-3H3;3-11,16H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3;4*3-9H,1-2H3.
What are the key properties of hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?
hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 3159.61 g/mol, XLogP of 66.82, 25 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-methyl-3-(2-propan-2-ylphenyl)benzene);2-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;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;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 159357518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).