10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C18H11IN6 — CID 10503150

IUPAC10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESIc1ccc(-n2cc(-c3ccccc3)c3c2ncn2nnnc32)cc1
InChIInChI=1S/C18H11IN6/c19-13-6-8-14(9-7-13)24-10-15(12-4-2-1-3-5-12)16-17(24)20-11-25-18(16)21-22-23-25/h1-11H
InChIKeyRIHRNGFJRJJIEF-UHFFFAOYSA-N
MW438.23 g/mol
LogP3.73
Rot. Bonds2

About 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 10503150) has the molecular formula C18H11IN6 and a molecular weight of 438.23 g/mol. Its IUPAC name is 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID10503150
Molecular FormulaC18H11IN6
Molecular Weight438.23 g/mol
Exact Mass438.01
IUPAC Name10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESIc1ccc(-n2cc(-c3ccccc3)c3c2ncn2nnnc32)cc1
InChIInChI=1S/C18H11IN6/c19-13-6-8-14(9-7-13)24-10-15(12-4-2-1-3-5-12)16-17(24)20-11-25-18(16)21-22-23-25/h1-11H
InChIKeyRIHRNGFJRJJIEF-UHFFFAOYSA-N
XLogP3.73
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 10503150) is 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Ic1ccc(-n2cc(-c3ccccc3)c3c2ncn2nnnc32)cc1.
What is the InChIKey of 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is RIHRNGFJRJJIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IN6/c19-13-6-8-14(9-7-13)24-10-15(12-4-2-1-3-5-12)16-17(24)20-11-25-18(16)21-22-23-25/h1-11H.
What are the key properties of 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 438.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-iodophenyl)-12-phenyl-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 10503150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).