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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Related Compounds

bis(7-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]);platinum(2+)
CID 59661583
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 58401833
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 153406412
spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
CID 122594196
15-tert-butylspiro[5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene-12,9'-fluorene]
CID 164748912
spiro[8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene-20,9'-fluorene]
CID 122631514
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
CID 87932191

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).