iridium(3+);bis(phenanthro[9,10-b]pyrazine)

C32H20IrN4+3 — CID 160728362

IUPACiridium(3+);bis(phenanthro[9,10-b]pyrazine)
SMILES[Ir+3].c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1nccnc21
InChIInChI=1S/2C16H10N2.Ir/c2*1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;/h2*1-10H;/q;;+3
InChIKeyRTZSZHXKPFMJBK-UHFFFAOYSA-N
MW652.76 g/mol
LogP7.87
Rot. Bonds

About iridium(3+);bis(phenanthro[9,10-b]pyrazine)

iridium(3+);bis(phenanthro[9,10-b]pyrazine) (PubChem CID 160728362) has the molecular formula C32H20IrN4+3 and a molecular weight of 652.76 g/mol. Its IUPAC name is iridium(3+);bis(phenanthro[9,10-b]pyrazine).

Molecular Properties

Compound Nameiridium(3+);bis(phenanthro[9,10-b]pyrazine)
PubChem CID160728362
Molecular FormulaC32H20IrN4+3
Molecular Weight652.76 g/mol
Exact Mass653.13
IUPAC Nameiridium(3+);bis(phenanthro[9,10-b]pyrazine)
SMILES[Ir+3].c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1nccnc21
InChIInChI=1S/2C16H10N2.Ir/c2*1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;/h2*1-10H;/q;;+3
InChIKeyRTZSZHXKPFMJBK-UHFFFAOYSA-N
XLogP7.87
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium(3+);bis(phenanthro[9,10-b]pyrazine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
10-bromophenanthro[9,10-b]pyrazine
CID 58224572
7,10,19,22,32,35,44,47-octazaundecacyclo[26.22.0.03,26.05,24.06,11.012,17.018,23.030,49.031,36.037,42.043,48]pentaconta-1(28),3(26),4,6,8,10,12,14,16,18,20,22,24,29,31,33,35,37,39,41,43,45,47,49-tetracosaene-2,27-dione
CID 58731966
azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide
CID 171726760
5,6-bis(ethenyl)benzo[f]quinoxaline
CID 145147598
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
CID 126706239
10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
CID 135127404
16,19-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 175569006
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457

Frequently Asked Questions

What is the IUPAC name of iridium(3+);bis(phenanthro[9,10-b]pyrazine)?
The IUPAC name of iridium(3+);bis(phenanthro[9,10-b]pyrazine) (CID 160728362) is iridium(3+);bis(phenanthro[9,10-b]pyrazine).
What is the SMILES notation for iridium(3+);bis(phenanthro[9,10-b]pyrazine)?
The canonical SMILES for iridium(3+);bis(phenanthro[9,10-b]pyrazine) is [Ir+3].c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1nccnc21.
What is the InChIKey of iridium(3+);bis(phenanthro[9,10-b]pyrazine)?
The InChIKey is RTZSZHXKPFMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10N2.Ir/c2*1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;/h2*1-10H;/q;;+3.
What are the key properties of iridium(3+);bis(phenanthro[9,10-b]pyrazine)?
iridium(3+);bis(phenanthro[9,10-b]pyrazine) has a molecular weight of 652.76 g/mol, XLogP of 7.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);bis(phenanthro[9,10-b]pyrazine) is sourced from PubChem (CID 160728362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).