8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium

C45H35F3IrN5O- — CID 140826668

IUPAC8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium
SMILESCC1(C)c2c[c-]c(-c3ncc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C.[Ir]
InChIInChI=1S/C45H35F3N5O.Ir/c1-42(2)32-21-19-26(23-33(32)43(3,4)44(42,5)6)36-29-20-22-35(45(46,47)48)50-37(29)31(24-49-36)41-52-39(25-13-8-7-9-14-25)51-40(53-41)30-17-12-16-28-27-15-10-11-18-34(27)54-38(28)30;/h7-18,20-24H,1-6H3;/q-1;
InChIKeyXVYFHBJWYJDBGP-UHFFFAOYSA-N
MW911.02 g/mol
LogP11.79
Rot. Bonds4

About 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium

8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium (PubChem CID 140826668) has the molecular formula C45H35F3IrN5O- and a molecular weight of 911.02 g/mol. Its IUPAC name is 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium.

Molecular Properties

Compound Name8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium
PubChem CID140826668
Molecular FormulaC45H35F3IrN5O-
Molecular Weight911.02 g/mol
Exact Mass911.24
IUPAC Name8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium
SMILESCC1(C)c2c[c-]c(-c3ncc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C.[Ir]
InChIInChI=1S/C45H35F3N5O.Ir/c1-42(2)32-21-19-26(23-33(32)43(3,4)44(42,5)6)36-29-20-22-35(45(46,47)48)50-37(29)31(24-49-36)41-52-39(25-13-8-7-9-14-25)51-40(53-41)30-17-12-16-28-27-15-10-11-18-34(27)54-38(28)30;/h7-18,20-24H,1-6H3;/q-1;
InChIKeyXVYFHBJWYJDBGP-UHFFFAOYSA-N
XLogP11.79
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.02
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium with MolForge

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Related Compounds

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8-Butyl-14-[7,7-diethyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-ylidene]-3-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123197392
20-Butyl-13-[[7,8-diethyl-7-methyl-4-(trifluoromethyl)-3,5,6-triaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]methyl]-4-methyl-23-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,24-undecaene
CID 123358950
8-Butyl-14-[2-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-3-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123438396
7,8-Diethyl-7-methyl-8-[3-[4-methyl-2-(3-methyldibenzofuran-2-yl)quinolin-1-ium-1-yl]propyl]-4-(trifluoromethyl)-3,5,6-triaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
CID 123595411

Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium?
The IUPAC name of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium (CID 140826668) is 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium.
What is the SMILES notation for 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium?
The canonical SMILES for 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium is CC1(C)c2c[c-]c(-c3ncc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C.[Ir].
What is the InChIKey of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium?
The InChIKey is XVYFHBJWYJDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35F3N5O.Ir/c1-42(2)32-21-19-26(23-33(32)43(3,4)44(42,5)6)36-29-20-22-35(45(46,47)48)50-37(29)31(24-49-36)41-52-39(25-13-8-7-9-14-25)51-40(53-41)30-17-12-16-28-27-15-10-11-18-34(27)54-38(28)30;/h7-18,20-24H,1-6H3;/q-1;.
What are the key properties of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium?
8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium has a molecular weight of 911.02 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium is sourced from PubChem (CID 140826668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).