9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C38H27N5O — CID 140948532

IUPAC9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESCc1cc(C)c(-c2cnc3c4cc(Oc5ccc6c(c5)c5nccn5c5cccnc65)ccc4c4ccccc4n23)c(C)c1
InChIInChI=1S/C38H27N5O/c1-22-17-23(2)35(24(3)18-22)34-21-41-38-30-19-25(10-12-27(30)28-7-4-5-8-32(28)43(34)38)44-26-11-13-29-31(20-26)37-40-15-16-42(37)33-9-6-14-39-36(29)33/h4-21H,1-3H3
InChIKeyZWMAIRJWVSWMQB-UHFFFAOYSA-N
MW569.67 g/mol
LogP9.37
Rot. Bonds3

About 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 140948532) has the molecular formula C38H27N5O and a molecular weight of 569.67 g/mol. Its IUPAC name is 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
PubChem CID140948532
Molecular FormulaC38H27N5O
Molecular Weight569.67 g/mol
Exact Mass569.22
IUPAC Name9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESCc1cc(C)c(-c2cnc3c4cc(Oc5ccc6c(c5)c5nccn5c5cccnc65)ccc4c4ccccc4n23)c(C)c1
InChIInChI=1S/C38H27N5O/c1-22-17-23(2)35(24(3)18-22)34-21-41-38-30-19-25(10-12-27(30)28-7-4-5-8-32(28)43(34)38)44-26-11-13-29-31(20-26)37-40-15-16-42(37)33-9-6-14-39-36(29)33/h4-21H,1-3H3
InChIKeyZWMAIRJWVSWMQB-UHFFFAOYSA-N
XLogP9.37
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The IUPAC name of 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 140948532) is 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.
What is the SMILES notation for 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The canonical SMILES for 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Cc1cc(C)c(-c2cnc3c4cc(Oc5ccc6c(c5)c5nccn5c5cccnc65)ccc4c4ccccc4n23)c(C)c1.
What is the InChIKey of 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The InChIKey is ZWMAIRJWVSWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5O/c1-22-17-23(2)35(24(3)18-22)34-21-41-38-30-19-25(10-12-27(30)28-7-4-5-8-32(28)43(34)38)44-26-11-13-29-31(20-26)37-40-15-16-42(37)33-9-6-14-39-36(29)33/h4-21H,1-3H3.
What are the key properties of 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene has a molecular weight of 569.67 g/mol, XLogP of 9.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 140948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).