7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium

C37H24IrN- — CID 58401861

IUPAC7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium
SMILES[Ir].[c-]1cc(C(c2ccccc2)c2ccccc2)cc2c1-c1ncccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H24N.Ir/c1-3-12-25(13-4-1)35(26-14-5-2-6-15-26)27-21-22-30-34(24-27)37(33-20-11-23-38-36(30)33)31-18-9-7-16-28(31)29-17-8-10-19-32(29)37;/h1-21,23-24,35H;/q-1;
InChIKeyNRHMZPKGGIEIDJ-UHFFFAOYSA-N
MW674.82 g/mol
LogP8.40
Rot. Bonds3

About 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium

7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium (PubChem CID 58401861) has the molecular formula C37H24IrN- and a molecular weight of 674.82 g/mol. Its IUPAC name is 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium.

Molecular Properties

Compound Name7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium
PubChem CID58401861
Molecular FormulaC37H24IrN-
Molecular Weight674.82 g/mol
Exact Mass675.15
IUPAC Name7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium
SMILES[Ir].[c-]1cc(C(c2ccccc2)c2ccccc2)cc2c1-c1ncccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H24N.Ir/c1-3-12-25(13-4-1)35(26-14-5-2-6-15-26)27-21-22-30-34(24-27)37(33-20-11-23-38-36(30)33)31-18-9-7-16-28(31)29-17-8-10-19-32(29)37;/h1-21,23-24,35H;/q-1;
InChIKeyNRHMZPKGGIEIDJ-UHFFFAOYSA-N
XLogP8.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.82
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium?
The IUPAC name of 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium (CID 58401861) is 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium.
What is the SMILES notation for 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium?
The canonical SMILES for 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium is [Ir].[c-]1cc(C(c2ccccc2)c2ccccc2)cc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium?
The InChIKey is NRHMZPKGGIEIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N.Ir/c1-3-12-25(13-4-1)35(26-14-5-2-6-15-26)27-21-22-30-34(24-27)37(33-20-11-23-38-36(30)33)31-18-9-7-16-28(31)29-17-8-10-19-32(29)37;/h1-21,23-24,35H;/q-1;.
What are the key properties of 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium?
7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium has a molecular weight of 674.82 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium is sourced from PubChem (CID 58401861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).