iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine

C63H42F6IrN4-2 — CID 58793134

IUPACiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
SMILESFC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C50H36N3.C13H6F6N.Ir/c1-5-15-39(16-6-1)52(40-17-7-2-8-18-40)43-26-28-45-46-29-27-44(53(41-19-9-3-10-20-41)42-21-11-4-12-22-42)33-48(46)50(47(45)32-43)34-37-25-24-36(31-38(37)35-50)49-23-13-14-30-51-49;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-23,25-33H,34-35H2;1-4,6-7H;/q2*-1;
InChIKeyBFOUYOMUCSLMCJ-UHFFFAOYSA-N
MW1161.26 g/mol
LogP17.14
Rot. Bonds8

About iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine

iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine (PubChem CID 58793134) has the molecular formula C63H42F6IrN4-2 and a molecular weight of 1161.26 g/mol. Its IUPAC name is iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Nameiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
PubChem CID58793134
Molecular FormulaC63H42F6IrN4-2
Molecular Weight1161.26 g/mol
Exact Mass1161.30
IUPAC Nameiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
SMILESFC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C50H36N3.C13H6F6N.Ir/c1-5-15-39(16-6-1)52(40-17-7-2-8-18-40)43-26-28-45-46-29-27-44(53(41-19-9-3-10-20-41)42-21-11-4-12-22-42)33-48(46)50(47(45)32-43)34-37-25-24-36(31-38(37)35-50)49-23-13-14-30-51-49;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-23,25-33H,34-35H2;1-4,6-7H;/q2*-1;
InChIKeyBFOUYOMUCSLMCJ-UHFFFAOYSA-N
XLogP17.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.26
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

CID 168306897
CID 168306897
bis(2-[2-carbazol-9-yl-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);platinum(2+)
CID 57873264
2-[3-Methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
CID 58401567
5-[4-[2,4-Dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
CID 58401848
2-(2',7'-diphenylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793047
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
CID 58793129
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetramethyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793154
2-(2',7'-dinaphthalen-1-ylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793155
Bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)
CID 58939567
N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
CID 59245961
N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
CID 59246247
9-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[3,4-b]indol-9-ylphenyl)propan-2-yl]phenyl]pyrido[3,4-b]indole
CID 59344112

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine?
The IUPAC name of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine (CID 58793134) is iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine?
The canonical SMILES for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine is FC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine?
The InChIKey is BFOUYOMUCSLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N3.C13H6F6N.Ir/c1-5-15-39(16-6-1)52(40-17-7-2-8-18-40)43-26-28-45-46-29-27-44(53(41-19-9-3-10-20-41)42-21-11-4-12-22-42)33-48(46)50(47(45)32-43)34-37-25-24-36(31-38(37)35-50)49-23-13-14-30-51-49;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-23,25-33H,34-35H2;1-4,6-7H;/q2*-1;.
What are the key properties of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine?
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine has a molecular weight of 1161.26 g/mol, XLogP of 17.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 58793134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).