CID 140756488

C23H22IrN- — CID 140756488

IUPAC—
SMILESCC12CCC(C)(CC1)c1cc(-c3cc4ccccc4cn3)[c-]cc12.[Ir]
InChIInChI=1S/C23H22N.Ir/c1-22-9-11-23(2,12-10-22)20-13-17(7-8-19(20)22)21-14-16-5-3-4-6-18(16)15-24-21;/h3-6,8,13-15H,9-12H2,1-2H3;/q-1;
InChIKeyIZARGLNTPSHEAJ-UHFFFAOYSA-N
MW504.65 g/mol
LogP5.80
Rot. Bonds1

About CID 140756488

CID 140756488 (PubChem CID 140756488) has the molecular formula C23H22IrN- and a molecular weight of 504.65 g/mol.

Molecular Properties

Compound NameCID 140756488
PubChem CID140756488
Molecular FormulaC23H22IrN-
Molecular Weight504.65 g/mol
Exact Mass505.14
IUPAC Name—
SMILESCC12CCC(C)(CC1)c1cc(-c3cc4ccccc4cn3)[c-]cc12.[Ir]
InChIInChI=1S/C23H22N.Ir/c1-22-9-11-23(2,12-10-22)20-13-17(7-8-19(20)22)21-14-16-5-3-4-6-18(16)15-24-21;/h3-6,8,13-15H,9-12H2,1-2H3;/q-1;
InChIKeyIZARGLNTPSHEAJ-UHFFFAOYSA-N
XLogP5.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 59798570
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
CID 59798548
chloroplatinum(1+);3-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
CID 59863409
iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine
CID 140790019
2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium
CID 140826429
3-[3-(4,6-difluoro-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140786199
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;iridium
CID 140826744
CID 158917126
CID 158917126
3-[3-(4,6-ditert-butylpyrimidin-2-yl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140786479
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
iridium;3-(3-pyridin-3-ylbenzene-6-id-1-yl)isoquinoline
CID 140786386
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056

Frequently Asked Questions

What is the IUPAC name of CID 140756488?
The IUPAC name of CID 140756488 (CID 140756488) is not available.
What is the SMILES notation for CID 140756488?
The canonical SMILES for CID 140756488 is CC12CCC(C)(CC1)c1cc(-c3cc4ccccc4cn3)[c-]cc12.[Ir].
What is the InChIKey of CID 140756488?
The InChIKey is IZARGLNTPSHEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N.Ir/c1-22-9-11-23(2,12-10-22)20-13-17(7-8-19(20)22)21-14-16-5-3-4-6-18(16)15-24-21;/h3-6,8,13-15H,9-12H2,1-2H3;/q-1;.
What are the key properties of CID 140756488?
CID 140756488 has a molecular weight of 504.65 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140756488 is sourced from PubChem (CID 140756488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).