1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)

C126H112IrN8OPtS2-2 — CID 140803171

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c(Oc2[c-]c(-c3nccn3-c3c(C(C)C)cc(-c4cccc5c4sc4c(-c6cccc(-c7cccc(-c8cccc9c8sc8c(-c%10cc(C(C)C)c(-n%11ccnc%11-c%11[c-]cccc%11)c(C(C)C)c%10)cccc89)c7)c6)cccc45)cc3C(C)C)ccc2)ccc1.[Ir].[Pt+2]
InChIInChI=1S/C99H85N6OS2.C27H27N2.Ir.Pt/c1-59(2)76-35-20-36-77(60(3)4)90(76)103-48-46-101-98(103)70-31-18-33-74(53-70)106-75-34-19-32-71(54-75)99-102-47-50-105(99)92-88(63(9)10)57-73(58-89(92)64(11)12)81-40-24-44-85-83-42-22-38-79(94(83)108-96(81)85)69-30-17-28-67(52-69)66-27-16-29-68(51-66)78-37-21-41-82-84-43-23-39-80(95(84)107-93(78)82)72-55-86(61(5)6)91(87(56-72)62(7)8)104-49-45-100-97(104)65-25-14-13-15-26-65;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;;/h13-25,27-52,55-64H,1-12H3;5-13,15-20H,1-4H3;;/q-3;-1;;+2
InChIKeyWZCCSJHAQFIDEM-UHFFFAOYSA-N
MW2205.77 g/mol
LogP35.50
Rot. Bonds24

About 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)

1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+) (PubChem CID 140803171) has the molecular formula C126H112IrN8OPtS2-2 and a molecular weight of 2205.77 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+).

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)
PubChem CID140803171
Molecular FormulaC126H112IrN8OPtS2-2
Molecular Weight2205.77 g/mol
Exact Mass2204.77
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c(Oc2[c-]c(-c3nccn3-c3c(C(C)C)cc(-c4cccc5c4sc4c(-c6cccc(-c7cccc(-c8cccc9c8sc8c(-c%10cc(C(C)C)c(-n%11ccnc%11-c%11[c-]cccc%11)c(C(C)C)c%10)cccc89)c7)c6)cccc45)cc3C(C)C)ccc2)ccc1.[Ir].[Pt+2]
InChIInChI=1S/C99H85N6OS2.C27H27N2.Ir.Pt/c1-59(2)76-35-20-36-77(60(3)4)90(76)103-48-46-101-98(103)70-31-18-33-74(53-70)106-75-34-19-32-71(54-75)99-102-47-50-105(99)92-88(63(9)10)57-73(58-89(92)64(11)12)81-40-24-44-85-83-42-22-38-79(94(83)108-96(81)85)69-30-17-28-67(52-69)66-27-16-29-68(51-66)78-37-21-41-82-84-43-23-39-80(95(84)107-93(78)82)72-55-86(61(5)6)91(87(56-72)62(7)8)104-49-45-100-97(104)65-25-14-13-15-26-65;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;;/h13-25,27-52,55-64H,1-12H3;5-13,15-20H,1-4H3;;/q-3;-1;;+2
InChIKeyWZCCSJHAQFIDEM-UHFFFAOYSA-N
XLogP35.50
TPSA80.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.77
LogP ≤ 535.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+) (CID 140803171) is 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+).
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+) is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c(Oc2[c-]c(-c3nccn3-c3c(C(C)C)cc(-c4cccc5c4sc4c(-c6cccc(-c7cccc(-c8cccc9c8sc8c(-c%10cc(C(C)C)c(-n%11ccnc%11-c%11[c-]cccc%11)c(C(C)C)c%10)cccc89)c7)c6)cccc45)cc3C(C)C)ccc2)ccc1.[Ir].[Pt+2].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)?
The InChIKey is WZCCSJHAQFIDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H85N6OS2.C27H27N2.Ir.Pt/c1-59(2)76-35-20-36-77(60(3)4)90(76)103-48-46-101-98(103)70-31-18-33-74(53-70)106-75-34-19-32-71(54-75)99-102-47-50-105(99)92-88(63(9)10)57-73(58-89(92)64(11)12)81-40-24-44-85-83-42-22-38-79(94(83)108-96(81)85)69-30-17-28-67(52-69)66-27-16-29-68(51-66)78-37-21-41-82-84-43-23-39-80(95(84)107-93(78)82)72-55-86(61(5)6)91(87(56-72)62(7)8)104-49-45-100-97(104)65-25-14-13-15-26-65;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;;/h13-25,27-52,55-64H,1-12H3;5-13,15-20H,1-4H3;;/q-3;-1;;+2.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+)?
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+) has a molecular weight of 2205.77 g/mol, XLogP of 35.50, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[6-[3-[3-[6-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]phenyl]dibenzothiophen-4-yl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;platinum(2+) is sourced from PubChem (CID 140803171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).