9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C45H33N5O — CID 154610964

IUPAC9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4ccc5c6cnccc6n6ccnc6c5c4)cc3c3nccn3c2c1-c1c(C)cccc1C
InChIInChI=1S/C45H33N5O/c1-26-7-5-8-27(2)40(26)35-16-15-34-32-13-11-30(23-36(32)45-48-20-22-50(45)43(34)42(35)41-28(3)9-6-10-29(41)4)51-31-12-14-33-37(24-31)44-47-19-21-49(44)39-17-18-46-25-38(33)39/h5-25H,1-4H3
InChIKeyOCSLWYNUBAVPBT-UHFFFAOYSA-N
MW659.79 g/mol
LogP11.35
Rot. Bonds4

About 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 154610964) has the molecular formula C45H33N5O and a molecular weight of 659.79 g/mol. Its IUPAC name is 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
PubChem CID154610964
Molecular FormulaC45H33N5O
Molecular Weight659.79 g/mol
Exact Mass659.27
IUPAC Name9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4ccc5c6cnccc6n6ccnc6c5c4)cc3c3nccn3c2c1-c1c(C)cccc1C
InChIInChI=1S/C45H33N5O/c1-26-7-5-8-27(2)40(26)35-16-15-34-32-13-11-30(23-36(32)45-48-20-22-50(45)43(34)42(35)41-28(3)9-6-10-29(41)4)51-31-12-14-33-37(24-31)44-47-19-21-49(44)39-17-18-46-25-38(33)39/h5-25H,1-4H3
InChIKeyOCSLWYNUBAVPBT-UHFFFAOYSA-N
XLogP11.35
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-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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Related Compounds

5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine
CID 170672592
8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610256
9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 154610500
9-[7,8-bis(2,6-dimethylphenyl)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 154610698
3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610637
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610868
11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine
CID 142562406
5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610273
4-[[10,11-bis(2,6-dimethylphenyl)-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-decaen-4-yl]oxy]-10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154611241
9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 154611253
11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine
CID 154611261
11-imidazo[1,2-f]phenanthridin-11-yloxy-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 163873412

Frequently Asked Questions

What is the IUPAC name of 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-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-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 154610964) is 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-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-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-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-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Cc1cccc(C)c1-c1ccc2c3ccc(Oc4ccc5c6cnccc6n6ccnc6c5c4)cc3c3nccn3c2c1-c1c(C)cccc1C.
What is the InChIKey of 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The InChIKey is OCSLWYNUBAVPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N5O/c1-26-7-5-8-27(2)40(26)35-16-15-34-32-13-11-30(23-36(32)45-48-20-22-50(45)43(34)42(35)41-28(3)9-6-10-29(41)4)51-31-12-14-33-37(24-31)44-47-19-21-49(44)39-17-18-46-25-38(33)39/h5-25H,1-4H3.
What are the key properties of 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-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 659.79 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-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 154610964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).