iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol

C29H21IrN3O-2 — CID 58106961

IUPACiridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol
SMILESOC(c1cccc(-c2[c-]cccc2)n1)c1cccc(N(c2[c-]cccc2)c2ccccc2)n1.[Ir]
InChIInChI=1S/C29H21N3O.Ir/c33-29(26-19-10-18-25(30-26)22-12-4-1-5-13-22)27-20-11-21-28(31-27)32(23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h1-12,14-16,18-21,29,33H;/q-2;
InChIKeyPMOIJTLAGRTZCN-UHFFFAOYSA-N
MW619.72 g/mol
LogP6.29
Rot. Bonds6

About iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol

iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol (PubChem CID 58106961) has the molecular formula C29H21IrN3O-2 and a molecular weight of 619.72 g/mol. Its IUPAC name is iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol.

Molecular Properties

Compound Nameiridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol
PubChem CID58106961
Molecular FormulaC29H21IrN3O-2
Molecular Weight619.72 g/mol
Exact Mass620.13
IUPAC Nameiridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol
SMILESOC(c1cccc(-c2[c-]cccc2)n1)c1cccc(N(c2[c-]cccc2)c2ccccc2)n1.[Ir]
InChIInChI=1S/C29H21N3O.Ir/c33-29(26-19-10-18-25(30-26)22-12-4-1-5-13-22)27-20-11-21-28(31-27)32(23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h1-12,14-16,18-21,29,33H;/q-2;
InChIKeyPMOIJTLAGRTZCN-UHFFFAOYSA-N
XLogP6.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.72
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
CID 58704209
2-phenyl-6-[phenyl-(6-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 59434494
N-phenyl-6-phenyl-N-(2-phenyl-1,2-dihydropyridin-6-yl)pyridin-2-amine;platinum(2+)
CID 170529903
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
CID 153499114
CID 153499114
iridium;phenylbenzene
CID 58599975
butan-2-ol;iridium;2-phenylquinoline
CID 155610243
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
chromium(3+);N,N-dimethyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;methanidylbenzene
CID 59793282
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059
N,N-diphenyl-4-[5-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline;iridium;2-phenylpyridine
CID 157108180

Frequently Asked Questions

What is the IUPAC name of iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol?
The IUPAC name of iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol (CID 58106961) is iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol.
What is the SMILES notation for iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol?
The canonical SMILES for iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol is OC(c1cccc(-c2[c-]cccc2)n1)c1cccc(N(c2[c-]cccc2)c2ccccc2)n1.[Ir].
What is the InChIKey of iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol?
The InChIKey is PMOIJTLAGRTZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O.Ir/c33-29(26-19-10-18-25(30-26)22-12-4-1-5-13-22)27-20-11-21-28(31-27)32(23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h1-12,14-16,18-21,29,33H;/q-2;.
What are the key properties of iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol?
iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol has a molecular weight of 619.72 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol is sourced from PubChem (CID 58106961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).