cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline

C116H128N10 — CID 158546913

IUPACcumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
SMILESCC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2nc3ccccc3cc2c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/2C17H16.C16H15N.C13H14.2C11H12N2.C9H12.C8H11N.2C7H10N2/c2*1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-11(2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)17-16;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h2*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyHPFQMZWXWYZINO-UHFFFAOYSA-N
MW1662.37 g/mol
LogP32.43
Rot. Bonds10

About cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline

cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline (PubChem CID 158546913) has the molecular formula C116H128N10 and a molecular weight of 1662.37 g/mol. Its IUPAC name is cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline.

Molecular Properties

Compound Namecumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
PubChem CID158546913
Molecular FormulaC116H128N10
Molecular Weight1662.37 g/mol
Exact Mass1661.03
IUPAC Namecumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
SMILESCC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2nc3ccccc3cc2c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/2C17H16.C16H15N.C13H14.2C11H12N2.C9H12.C8H11N.2C7H10N2/c2*1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-11(2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)17-16;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h2*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyHPFQMZWXWYZINO-UHFFFAOYSA-N
XLogP32.43
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001662.37
LogP ≤ 532.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline with MolForge

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Related Compounds

ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
methylphosphane;4-propan-2-ylisoquinoline;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline
CID 162017886
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
CID 159400797
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
2-propan-2-ylpentacene
CID 153380535
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
The IUPAC name of cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline (CID 158546913) is cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline.
What is the SMILES notation for cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
The canonical SMILES for cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline is CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2nc3ccccc3cc2c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncc2ccccc2n1.
What is the InChIKey of cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
The InChIKey is HPFQMZWXWYZINO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16.C16H15N.C13H14.2C11H12N2.C9H12.C8H11N.2C7H10N2/c2*1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-11(2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)17-16;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h2*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline has a molecular weight of 1662.37 g/mol, XLogP of 32.43, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline is sourced from PubChem (CID 158546913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).