1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)

C102H87IrN6 — CID 58058991

IUPAC1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)
SMILESCC(C)c1cc(-c2ccccc2)cc(-c2cccc(CCc3cc(CCc4cccc(-c5cc(-c6ccccc6)cc(C(C)C)c5-n5ccnc5-c5[c-]cccc5)c4)cc(CCc4cccc(-c5cc(-c6ccccc6)cc(C(C)C)c5-n5ccnc5-c5[c-]cccc5)c4)c3)c2)c1-n1ccnc1-c1[c-]cccc1.[Ir+3]
InChIInChI=1S/C102H87N6.Ir/c1-70(2)91-64-88(79-31-13-7-14-32-79)67-94(97(91)106-55-52-103-100(106)82-37-19-10-20-38-82)85-43-25-28-73(61-85)46-49-76-58-77(50-47-74-29-26-44-86(62-74)95-68-89(80-33-15-8-16-34-80)65-92(71(3)4)98(95)107-56-53-104-101(107)83-39-21-11-22-40-83)60-78(59-76)51-48-75-30-27-45-87(63-75)96-69-90(81-35-17-9-18-36-81)66-93(72(5)6)99(96)108-57-54-105-102(108)84-41-23-12-24-42-84;/h7-37,39,41,43-45,52-72H,46-51H2,1-6H3;/q-3;+3
InChIKeyWESGSZQXKLKUTC-UHFFFAOYSA-N
MW1589.08 g/mol
LogP25.37
Rot. Bonds24

About 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)

1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+) (PubChem CID 58058991) has the molecular formula C102H87IrN6 and a molecular weight of 1589.08 g/mol. Its IUPAC name is 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+).

Molecular Properties

Compound Name1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)
PubChem CID58058991
Molecular FormulaC102H87IrN6
Molecular Weight1589.08 g/mol
Exact Mass1588.66
IUPAC Name1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)
SMILESCC(C)c1cc(-c2ccccc2)cc(-c2cccc(CCc3cc(CCc4cccc(-c5cc(-c6ccccc6)cc(C(C)C)c5-n5ccnc5-c5[c-]cccc5)c4)cc(CCc4cccc(-c5cc(-c6ccccc6)cc(C(C)C)c5-n5ccnc5-c5[c-]cccc5)c4)c3)c2)c1-n1ccnc1-c1[c-]cccc1.[Ir+3]
InChIInChI=1S/C102H87N6.Ir/c1-70(2)91-64-88(79-31-13-7-14-32-79)67-94(97(91)106-55-52-103-100(106)82-37-19-10-20-38-82)85-43-25-28-73(61-85)46-49-76-58-77(50-47-74-29-26-44-86(62-74)95-68-89(80-33-15-8-16-34-80)65-92(71(3)4)98(95)107-56-53-104-101(107)83-39-21-11-22-40-83)60-78(59-76)51-48-75-30-27-45-87(63-75)96-69-90(81-35-17-9-18-36-81)66-93(72(5)6)99(96)108-57-54-105-102(108)84-41-23-12-24-42-84;/h7-37,39,41,43-45,52-72H,46-51H2,1-6H3;/q-3;+3
InChIKeyWESGSZQXKLKUTC-UHFFFAOYSA-N
XLogP25.37
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001589.08
LogP ≤ 525.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)?
The IUPAC name of 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+) (CID 58058991) is 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+).
What is the SMILES notation for 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)?
The canonical SMILES for 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+) is CC(C)c1cc(-c2ccccc2)cc(-c2cccc(CCc3cc(CCc4cccc(-c5cc(-c6ccccc6)cc(C(C)C)c5-n5ccnc5-c5[c-]cccc5)c4)cc(CCc4cccc(-c5cc(-c6ccccc6)cc(C(C)C)c5-n5ccnc5-c5[c-]cccc5)c4)c3)c2)c1-n1ccnc1-c1[c-]cccc1.[Ir+3].
What is the InChIKey of 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)?
The InChIKey is WESGSZQXKLKUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H87N6.Ir/c1-70(2)91-64-88(79-31-13-7-14-32-79)67-94(97(91)106-55-52-103-100(106)82-37-19-10-20-38-82)85-43-25-28-73(61-85)46-49-76-58-77(50-47-74-29-26-44-86(62-74)95-68-89(80-33-15-8-16-34-80)65-92(71(3)4)98(95)107-56-53-104-101(107)83-39-21-11-22-40-83)60-78(59-76)51-48-75-30-27-45-87(63-75)96-69-90(81-35-17-9-18-36-81)66-93(72(5)6)99(96)108-57-54-105-102(108)84-41-23-12-24-42-84;/h7-37,39,41,43-45,52-72H,46-51H2,1-6H3;/q-3;+3.
What are the key properties of 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+)?
1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+) has a molecular weight of 1589.08 g/mol, XLogP of 25.37, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-[3,5-bis[2-[3-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]phenyl]ethyl]phenyl]ethyl]phenyl]-4-phenyl-6-propan-2-ylphenyl]-2-phenylimidazole;iridium(3+) is sourced from PubChem (CID 58058991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).