1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene

C195H232F4N20 — CID 158403107

About 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene

1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158403107) has the molecular formula C195H232F4N20 and a molecular weight of 2932.13 g/mol. Its IUPAC name is 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene
• PubChem CID: 158403107
• Molecular Formula: C195H232F4N20
• Molecular Weight: 2932.13 g/mol
• Exact Mass: 2929.87
• IUPAC Name: 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene
• SMILES: CC(C)/C=C/c1ccccc1.CC(C)c1cc2ccccc2c2ccccc12.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)C=CC2(C)C.CC(C)c1ccc2c3c(cccc13)CC2.CC(C)c1ccc2ccc3cccnc3c2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1ncncn1.[C-]#[N+]c1ccc(C(C)C)cc1
• InChI: InChI=1S/C17H16.C15H14N2.C15H16.C14H18.3C12H13N.C11H14.C10H11F3.C10H11N.C9H11F.3C8H11N.4C7H10N2.C6H9N3/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;1-10(2)13-8-7-12-6-5-11-4-3-9-16-14(11)15(12)17-13;1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-10(2)11-5-6-13-12(9-11)7-8-14(13,3)4;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-8-3-7-4-9-6/h3-12H,1-2H3;3-10H,1-2H3;3-5,8-10H,6-7H2,1-2H3;5-10H,1-4H3;3*3-9H,1-2H3;3-10H,1-2H3;3-7H,1-2H3;4-8H,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3/b;;;;;;;9-8+
• InChIKey: GYIQCBMDXRYJKG-KKVPFVKFSA-N
• XLogP: 54.78
• TPSA: 249.27 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2932.13
LogP ≤ 5	54.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene?

The IUPAC name of 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158403107) is 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene.

What is the SMILES notation for 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene?

The canonical SMILES for 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)/C=C/c1ccccc1.CC(C)c1cc2ccccc2c2ccccc12.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)C=CC2(C)C.CC(C)c1ccc2c3c(cccc13)CC2.CC(C)c1ccc2ccc3cccnc3c2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.CC(C)c1ncncn1.[C-]#[N+]c1ccc(C(C)C)cc1.

What is the InChIKey of 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene?

The InChIKey is GYIQCBMDXRYJKG-KKVPFVKFSA-N. The full InChI is InChI=1S/C17H16.C15H14N2.C15H16.C14H18.3C12H13N.C11H14.C10H11F3.C10H11N.C9H11F.3C8H11N.4C7H10N2.C6H9N3/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;1-10(2)13-8-7-12-6-5-11-4-3-9-16-14(11)15(12)17-13;1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-10(2)11-5-6-13-12(9-11)7-8-14(13,3)4;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-8-3-7-4-9-6/h3-12H,1-2H3;3-10H,1-2H3;3-5,8-10H,6-7H2,1-2H3;5-10H,1-4H3;3*3-9H,1-2H3;3-10H,1-2H3;3-7H,1-2H3;4-8H,1-2H3;3-7H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3/b;;;;;;;9-8+;;;;;;;;;;;.

What are the key properties of 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene?

1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 2932.13 g/mol, XLogP of 54.78, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-5-propan-2-ylindene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;9-propan-2-ylphenanthrene;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158403107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).