9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine

C24H20N2 — CID 59359175

IUPAC9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine
SMILESCc1cccc(C)c1-c1cccc2c1c1ccccc1n1c(C)cnc21
InChIInChI=1S/C24H20N2/c1-15-8-6-9-16(2)22(15)19-11-7-12-20-23(19)18-10-4-5-13-21(18)26-17(3)14-25-24(20)26/h4-14H,1-3H3
InChIKeyPRUHTPVHKBNWKC-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.23
Rot. Bonds1

About 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine

9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine (PubChem CID 59359175) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine
PubChem CID59359175
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine
SMILESCc1cccc(C)c1-c1cccc2c1c1ccccc1n1c(C)cnc21
InChIInChI=1S/C24H20N2/c1-15-8-6-9-16(2)22(15)19-11-7-12-20-23(19)18-10-4-5-13-21(18)26-17(3)14-25-24(20)26/h4-14H,1-3H3
InChIKeyPRUHTPVHKBNWKC-UHFFFAOYSA-N
XLogP6.23
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylimidazo[1,2-a]quinoxalin-4-amine
CID 10559868
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610637
3-(2,6-dimethylphenyl)-2,5,16,19-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 140948797
3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310
24-(2,6-dimethylphenyl)-22,25-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene
CID 140949125
8-(2,6-dimethylphenyl)-3-methyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411649
3-(2-carbazol-9-ylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 58162790
3,16-bis(2,6-dimethylphenyl)-9-[3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610768
3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine
CID 140593834
9-(2,6-dimethylphenyl)-4-[[10-(2,6-dimethylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-yl]oxy]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 154611177
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine?
The IUPAC name of 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine (CID 59359175) is 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1cccc2c1c1ccccc1n1c(C)cnc21.
What is the InChIKey of 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine?
The InChIKey is PRUHTPVHKBNWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-15-8-6-9-16(2)22(15)19-11-7-12-20-23(19)18-10-4-5-13-21(18)26-17(3)14-25-24(20)26/h4-14H,1-3H3.
What are the key properties of 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine?
9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine has a molecular weight of 336.44 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 59359175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).