iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

C25H14IrN- — CID 59622068

IUPACiridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILES[Ir].[c-]1ccccc1-c1cc2c3c(c4ccccc4cc3n1)-c1ccccc1-2
InChIInChI=1S/C25H14N.Ir/c1-2-8-16(9-3-1)22-15-21-19-12-6-7-13-20(19)24-18-11-5-4-10-17(18)14-23(26-22)25(21)24;/h1-8,10-15H;/q-1;
InChIKeyCTRHLJDROXYGRH-UHFFFAOYSA-N
MW520.61 g/mol
LogP6.50
Rot. Bonds1

About iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 59622068) has the molecular formula C25H14IrN- and a molecular weight of 520.61 g/mol. Its IUPAC name is iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Nameiridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
PubChem CID59622068
Molecular FormulaC25H14IrN-
Molecular Weight520.61 g/mol
Exact Mass521.08
IUPAC Nameiridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILES[Ir].[c-]1ccccc1-c1cc2c3c(c4ccccc4cc3n1)-c1ccccc1-2
InChIInChI=1S/C25H14N.Ir/c1-2-8-16(9-3-1)22-15-21-19-12-6-7-13-20(19)24-18-11-5-4-10-17(18)14-23(26-22)25(21)24;/h1-8,10-15H;/q-1;
InChIKeyCTRHLJDROXYGRH-UHFFFAOYSA-N
XLogP6.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 59621960
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
CID 161320383
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Frequently Asked Questions

What is the IUPAC name of iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene (CID 59622068) is iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene is [Ir].[c-]1ccccc1-c1cc2c3c(c4ccccc4cc3n1)-c1ccccc1-2.
What is the InChIKey of iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is CTRHLJDROXYGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N.Ir/c1-2-8-16(9-3-1)22-15-21-19-12-6-7-13-20(19)24-18-11-5-4-10-17(18)14-23(26-22)25(21)24;/h1-8,10-15H;/q-1;.
What are the key properties of iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 520.61 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 59622068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).