4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline

C27H26N2 — CID 170539418

IUPAC4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
SMILESCC1(C)c2ccccc2-n2ncc(-c3ccc(-c4ccccc4)cc3)c2C1(C)C
InChIInChI=1S/C27H26N2/c1-26(2)23-12-8-9-13-24(23)29-25(27(26,3)4)22(18-28-29)21-16-14-20(15-17-21)19-10-6-5-7-11-19/h5-18H,1-4H3
InChIKeyPPSPHFVIFLEHRN-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.78
Rot. Bonds2

About 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline

4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline (PubChem CID 170539418) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
PubChem CID170539418
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
SMILESCC1(C)c2ccccc2-n2ncc(-c3ccc(-c4ccccc4)cc3)c2C1(C)C
InChIInChI=1S/C27H26N2/c1-26(2)23-12-8-9-13-24(23)29-25(27(26,3)4)22(18-28-29)21-16-14-20(15-17-21)19-10-6-5-7-11-19/h5-18H,1-4H3
InChIKeyPPSPHFVIFLEHRN-UHFFFAOYSA-N
XLogP6.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-iodo-4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinoline
CID 137480129
4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
CID 170539444
1,26,26-trimethyl-14-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)oxy-19-(trideuteriomethyl)-10,24-diazaheptacyclo[20.3.1.03,8.09,25.011,24.012,17.018,23]hexacosa-3,5,7,9(25),10,12(17),13,15,18,20,22-undecaene
CID 156667377
10-iodo-9,9-dimethyl-3-phenylacridine
CID 146540526
8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
CID 137234334
1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline
CID 164734136
5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline
CID 137489995
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
CID 163660771
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
13,13-dimethyl-5-[2-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70893107

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline?
The IUPAC name of 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline (CID 170539418) is 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline?
The canonical SMILES for 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline is CC1(C)c2ccccc2-n2ncc(-c3ccc(-c4ccccc4)cc3)c2C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline?
The InChIKey is PPSPHFVIFLEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-26(2)23-12-8-9-13-24(23)29-25(27(26,3)4)22(18-28-29)21-16-14-20(15-17-21)19-10-6-5-7-11-19/h5-18H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline?
4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline has a molecular weight of 378.52 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 170539418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).