2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)

C118H109F3Ir3N3-3 — CID 162081785

IUPAC2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)
SMILESCCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(-c5ccc(CCCCCC)cc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4n3)c2)cc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C45H46N.C39H34N.C34H29F3N.3Ir/c1-3-5-7-10-15-34-21-25-36(26-22-34)39-19-14-20-41(31-39)45-33-42(38-17-12-9-13-18-38)43-32-40(29-30-44(43)46-45)37-27-23-35(24-28-37)16-11-8-6-4-2;1-2-3-4-7-13-29-20-22-31(23-21-29)33-18-12-19-35(26-33)39-28-36(32-16-10-6-11-17-32)37-27-34(24-25-38(37)40-39)30-14-8-5-9-15-30;1-2-3-4-6-10-24-15-17-25(18-16-24)27-13-9-14-28(21-27)33-23-30(26-11-7-5-8-12-26)31-22-29(34(35,36)37)19-20-32(31)38-33;;;/h9,12-14,17-19,21-33H,3-8,10-11,15-16H2,1-2H3;5-6,8-12,14-18,20-28H,2-4,7,13H2,1H3;5,7-9,11-13,15-23H,2-4,6,10H2,1H3;;;/q3*-1;;;
InChIKeyJQWQWWBXDLKFSN-UHFFFAOYSA-N
MW2202.84 g/mol
LogP33.94
Rot. Bonds31

About 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)

2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium) (PubChem CID 162081785) has the molecular formula C118H109F3Ir3N3-3 and a molecular weight of 2202.84 g/mol. Its IUPAC name is 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium).

Molecular Properties

Compound Name2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)
PubChem CID162081785
Molecular FormulaC118H109F3Ir3N3-3
Molecular Weight2202.84 g/mol
Exact Mass2203.75
IUPAC Name2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)
SMILESCCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(-c5ccc(CCCCCC)cc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4n3)c2)cc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C45H46N.C39H34N.C34H29F3N.3Ir/c1-3-5-7-10-15-34-21-25-36(26-22-34)39-19-14-20-41(31-39)45-33-42(38-17-12-9-13-18-38)43-32-40(29-30-44(43)46-45)37-27-23-35(24-28-37)16-11-8-6-4-2;1-2-3-4-7-13-29-20-22-31(23-21-29)33-18-12-19-35(26-33)39-28-36(32-16-10-6-11-17-32)37-27-34(24-25-38(37)40-39)30-14-8-5-9-15-30;1-2-3-4-6-10-24-15-17-25(18-16-24)27-13-9-14-28(21-27)33-23-30(26-11-7-5-8-12-26)31-22-29(34(35,36)37)19-20-32(31)38-33;;;/h9,12-14,17-19,21-33H,3-8,10-11,15-16H2,1-2H3;5-6,8-12,14-18,20-28H,2-4,7,13H2,1H3;5,7-9,11-13,15-23H,2-4,6,10H2,1H3;;;/q3*-1;;;
InChIKeyJQWQWWBXDLKFSN-UHFFFAOYSA-N
XLogP33.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002202.84
LogP ≤ 533.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium) with MolForge

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Related Compounds

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-(3-octylphenyl)-4-(2-phenylphenyl)quinoline;iridium
CID 162471402
2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
CID 140591636
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-chloro-2-(4-pentylphenyl)-4-(trifluoromethyl)benzene
CID 146987914
2-[3-[3-[3-[4-(1,3-diphenylheptan-3-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 164702463
1-hexyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 91286869
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-pentadecyl-4-phenylbenzene
CID 57166115
8-octyl-3-phenylbenzo[c]cinnoline
CID 132938337
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[4-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-6-yl]silane
CID 156675948
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)?
The IUPAC name of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium) (CID 162081785) is 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium).
What is the SMILES notation for 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)?
The canonical SMILES for 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium) is CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(-c5ccc(CCCCCC)cc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3cc(-c4ccccc4)c4cc(C(F)(F)F)ccc4n3)c2)cc1.[Ir].[Ir].[Ir].
What is the InChIKey of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)?
The InChIKey is JQWQWWBXDLKFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N.C39H34N.C34H29F3N.3Ir/c1-3-5-7-10-15-34-21-25-36(26-22-34)39-19-14-20-41(31-39)45-33-42(38-17-12-9-13-18-38)43-32-40(29-30-44(43)46-45)37-27-23-35(24-28-37)16-11-8-6-4-2;1-2-3-4-7-13-29-20-22-31(23-21-29)33-18-12-19-35(26-33)39-28-36(32-16-10-6-11-17-32)37-27-34(24-25-38(37)40-39)30-14-8-5-9-15-30;1-2-3-4-6-10-24-15-17-25(18-16-24)27-13-9-14-28(21-27)33-23-30(26-11-7-5-8-12-26)31-22-29(34(35,36)37)19-20-32(31)38-33;;;/h9,12-14,17-19,21-33H,3-8,10-11,15-16H2,1-2H3;5-6,8-12,14-18,20-28H,2-4,7,13H2,1H3;5,7-9,11-13,15-23H,2-4,6,10H2,1H3;;;/q3*-1;;;.
What are the key properties of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium)?
2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium) has a molecular weight of 2202.84 g/mol, XLogP of 33.94, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4,6-diphenylquinoline;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenyl-6-(trifluoromethyl)quinoline;6-(4-hexylphenyl)-2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-4-phenylquinoline;tris(iridium) is sourced from PubChem (CID 162081785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).