bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)

C149H142Ir2N16O4-4 — CID 162174894

IUPACbis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)
SMILESCC1(C)c2c[c-]c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2C(C)(C)C1(C)C.CC1(C)c2c[c-]c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2C(C)(C)C1(C)C.COc1nc(OC)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.COc1nc(Oc2ccccc2)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.[Ir].[Ir]
InChIInChI=1S/2C47H41N4.C30H31N4O2.C25H29N4O2.2Ir/c2*1-45(2)39-25-23-35(29-40(39)46(3,4)47(45,5)6)41-26-24-38(30-48-41)44-50-42(36-21-13-19-33(27-36)31-15-9-7-10-16-31)49-43(51-44)37-22-14-20-34(28-37)32-17-11-8-12-18-32;1-28(2)22-15-13-19(17-23(22)29(3,4)30(28,5)6)24-16-14-20(18-31-24)25-32-26(35-7)34-27(33-25)36-21-11-9-8-10-12-21;1-23(2)17-11-9-15(13-18(17)24(3,4)25(23,5)6)19-12-10-16(14-26-19)20-27-21(30-7)29-22(28-20)31-8;;/h2*7-22,24-30H,1-6H3;8-12,14-18H,1-7H3;10-14H,1-8H3;;/q4*-1;;
InChIKeyPVYYJNVCKQVQBG-UHFFFAOYSA-N
MW2605.32 g/mol
LogP35.13
Rot. Bonds21

About bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)

bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium) (PubChem CID 162174894) has the molecular formula C149H142Ir2N16O4-4 and a molecular weight of 2605.32 g/mol. Its IUPAC name is bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium).

Molecular Properties

Compound Namebis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)
PubChem CID162174894
Molecular FormulaC149H142Ir2N16O4-4
Molecular Weight2605.32 g/mol
Exact Mass2605.07
IUPAC Namebis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)
SMILESCC1(C)c2c[c-]c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2C(C)(C)C1(C)C.CC1(C)c2c[c-]c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2C(C)(C)C1(C)C.COc1nc(OC)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.COc1nc(Oc2ccccc2)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.[Ir].[Ir]
InChIInChI=1S/2C47H41N4.C30H31N4O2.C25H29N4O2.2Ir/c2*1-45(2)39-25-23-35(29-40(39)46(3,4)47(45,5)6)41-26-24-38(30-48-41)44-50-42(36-21-13-19-33(27-36)31-15-9-7-10-16-31)49-43(51-44)37-22-14-20-34(28-37)32-17-11-8-12-18-32;1-28(2)22-15-13-19(17-23(22)29(3,4)30(28,5)6)24-16-14-20(18-31-24)25-32-26(35-7)34-27(33-25)36-21-11-9-8-10-12-21;1-23(2)17-11-9-15(13-18(17)24(3,4)25(23,5)6)19-12-10-16(14-26-19)20-27-21(30-7)29-22(28-20)31-8;;/h2*7-22,24-30H,1-6H3;8-12,14-18H,1-7H3;10-14H,1-8H3;;/q4*-1;;
InChIKeyPVYYJNVCKQVQBG-UHFFFAOYSA-N
XLogP35.13
TPSA243.16 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002605.32
LogP ≤ 535.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium) with MolForge

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Related Compounds

2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;iridium
CID 140826744
4,6-bis(3,5-diphenylphenyl)-2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]pyrimidine;iridium
CID 140826464
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-phenyl-6-pyridin-4-yl-1,3,5-triazine;iridium
CID 140826708
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazine;iridium
CID 140826696
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methyl-6-phenylpyrimidine;iridium
CID 140826608
2-(9H-fluoren-1-yl)-4-[4-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine;iridium
CID 147979171
2,4-difluoro-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium
CID 140826368
CID 158917126
CID 158917126
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium
CID 140826575
3-[4-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydrobenzimidazole;iridium
CID 140826791
9-[4-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;iridium
CID 140826632
N,N-dimethyl-4-phenyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazin-2-amine;iridium
CID 140826638

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)?
The IUPAC name of bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium) (CID 162174894) is bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium).
What is the SMILES notation for bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)?
The canonical SMILES for bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium) is CC1(C)c2c[c-]c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2C(C)(C)C1(C)C.CC1(C)c2c[c-]c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2C(C)(C)C1(C)C.COc1nc(OC)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.COc1nc(Oc2ccccc2)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.[Ir].[Ir].
What is the InChIKey of bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)?
The InChIKey is PVYYJNVCKQVQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H41N4.C30H31N4O2.C25H29N4O2.2Ir/c2*1-45(2)39-25-23-35(29-40(39)46(3,4)47(45,5)6)41-26-24-38(30-48-41)44-50-42(36-21-13-19-33(27-36)31-15-9-7-10-16-31)49-43(51-44)37-22-14-20-34(28-37)32-17-11-8-12-18-32;1-28(2)22-15-13-19(17-23(22)29(3,4)30(28,5)6)24-16-14-20(18-31-24)25-32-26(35-7)34-27(33-25)36-21-11-9-8-10-12-21;1-23(2)17-11-9-15(13-18(17)24(3,4)25(23,5)6)19-12-10-16(14-26-19)20-27-21(30-7)29-22(28-20)31-8;;/h2*7-22,24-30H,1-6H3;8-12,14-18H,1-7H3;10-14H,1-8H3;;/q4*-1;;.
What are the key properties of bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium)?
bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium) has a molecular weight of 2605.32 g/mol, XLogP of 35.13, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine);2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-dimethoxy-1,3,5-triazine;2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-methoxy-6-phenoxy-1,3,5-triazine;bis(iridium) is sourced from PubChem (CID 162174894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).