1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline

C24H27N — CID 164734136

IUPAC1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline
SMILESCc1cccc2c1-n1c(C)cc(-c3ccccc3)c1C(C)(C)C2(C)C
InChIInChI=1S/C24H27N/c1-16-11-10-14-20-21(16)25-17(2)15-19(18-12-8-7-9-13-18)22(25)24(5,6)23(20,3)4/h7-15H,1-6H3
InChIKeyXRXOMHUKMIMUNC-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.33
Rot. Bonds1

About 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline

1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline (PubChem CID 164734136) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline
PubChem CID164734136
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline
SMILESCc1cccc2c1-n1c(C)cc(-c3ccccc3)c1C(C)(C)C2(C)C
InChIInChI=1S/C24H27N/c1-16-11-10-14-20-21(16)25-17(2)15-19(18-12-8-7-9-13-18)22(25)24(5,6)23(20,3)4/h7-15H,1-6H3
InChIKeyXRXOMHUKMIMUNC-UHFFFAOYSA-N
XLogP6.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenyl)-1,5,9-trimethyl-3-phenyl-4,4,5-tris(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 159338560
4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
CID 170539418
1,4,9-trimethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenyl-4,5,5-tris(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 160732230
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
CID 158336638
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
2,2,4,9,9,10,10-heptamethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 177102350
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340
2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-1,5,5,9-tetramethyl-4,4-bis(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-phenyl-4-(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 157485568
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
1,2,9,9-tetramethyl-3-phenylfluorene
CID 171799133
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674

Frequently Asked Questions

What is the IUPAC name of 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline?
The IUPAC name of 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline (CID 164734136) is 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline.
What is the SMILES notation for 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline?
The canonical SMILES for 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline is Cc1cccc2c1-n1c(C)cc(-c3ccccc3)c1C(C)(C)C2(C)C.
What is the InChIKey of 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline?
The InChIKey is XRXOMHUKMIMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-16-11-10-14-20-21(16)25-17(2)15-19(18-12-8-7-9-13-18)22(25)24(5,6)23(20,3)4/h7-15H,1-6H3.
What are the key properties of 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline?
1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline has a molecular weight of 329.49 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline is sourced from PubChem (CID 164734136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).