7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine

C27H26N2 — CID 58163242

IUPAC7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1ccc2c(c1)c1ccccc1c1ncc(-c3c(C)c(C)c(C)c(C)c3C)n21
InChIInChI=1S/C27H26N2/c1-15-11-12-24-23(13-15)21-9-7-8-10-22(21)27-28-14-25(29(24)27)26-19(5)17(3)16(2)18(4)20(26)6/h7-14H,1-6H3
InChIKeyPHXFIOFQQXBGRF-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.16
Rot. Bonds1

About 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine

7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 58163242) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID58163242
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1ccc2c(c1)c1ccccc1c1ncc(-c3c(C)c(C)c(C)c(C)c3C)n21
InChIInChI=1S/C27H26N2/c1-15-11-12-24-23(13-15)21-9-7-8-10-22(21)27-28-14-25(29(24)27)26-19(5)17(3)16(2)18(4)20(26)6/h7-14H,1-6H3
InChIKeyPHXFIOFQQXBGRF-UHFFFAOYSA-N
XLogP7.16
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.16
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

3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
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
7-iodo-3-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine
CID 66827176
7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123439706
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314
3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
CID 170530717
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
3-[2,6-di(propan-2-yl)phenyl]-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 140948571
3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 54757875
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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine (CID 58163242) is 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine is Cc1ccc2c(c1)c1ccccc1c1ncc(-c3c(C)c(C)c(C)c(C)c3C)n21.
What is the InChIKey of 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is PHXFIOFQQXBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-15-11-12-24-23(13-15)21-9-7-8-10-22(21)27-28-14-25(29(24)27)26-19(5)17(3)16(2)18(4)20(26)6/h7-14H,1-6H3.
What are the key properties of 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 378.52 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).