4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile

C27H23N3 — CID 59358296

IUPAC4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile
SMILESCc1cc(C)c(-c2cccc3c2c2cc(C)cc(C)c2c2cc(C#N)nn23)c(C)c1
InChIInChI=1S/C27H23N3/c1-15-9-17(3)25(18(4)10-15)21-7-6-8-23-27(21)22-12-16(2)11-19(5)26(22)24-13-20(14-28)29-30(23)24/h6-13H,1-5H3
InChIKeyRIXNAXWQRREOMI-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.72
Rot. Bonds1

About 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile

4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile (PubChem CID 59358296) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile
PubChem CID59358296
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC Name4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile
SMILESCc1cc(C)c(-c2cccc3c2c2cc(C)cc(C)c2c2cc(C#N)nn23)c(C)c1
InChIInChI=1S/C27H23N3/c1-15-9-17(3)25(18(4)10-15)21-7-6-8-23-27(21)22-12-16(2)11-19(5)26(22)24-13-20(14-28)29-30(23)24/h6-13H,1-5H3
InChIKeyRIXNAXWQRREOMI-UHFFFAOYSA-N
XLogP6.72
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-f]phenanthridine
CID 59359208
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
CID 6394929
CID 6394929
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
9-[2-[3-[2-(4,6-dimethylpyrazolo[1,5-f]phenanthridin-9-yl)ethynyl]phenyl]ethynyl]-4,6-dimethylpyrazolo[1,5-f]phenanthridine
CID 123817042
CID 137158148
CID 137158148
CID 134905872
CID 134905872
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
9-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
CID 134239887
3,7,9-trimethylfluoranthene
CID 123365780

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile?
The IUPAC name of 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile (CID 59358296) is 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile?
The canonical SMILES for 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile is Cc1cc(C)c(-c2cccc3c2c2cc(C)cc(C)c2c2cc(C#N)nn23)c(C)c1.
What is the InChIKey of 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile?
The InChIKey is RIXNAXWQRREOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-15-9-17(3)25(18(4)10-15)21-7-6-8-23-27(21)22-12-16(2)11-19(5)26(22)24-13-20(14-28)29-30(23)24/h6-13H,1-5H3.
What are the key properties of 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile?
4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile has a molecular weight of 389.50 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-f]phenanthridine-2-carbonitrile is sourced from PubChem (CID 59358296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).