iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline

C25H20IrN- — CID 177115881

IUPACiridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
SMILESCc1[c-]c(-c2ccc3ccccc3n2)cc2c1-c1ccccc1C2(C)C.[Ir]
InChIInChI=1S/C25H20N.Ir/c1-16-14-18(23-13-12-17-8-4-7-11-22(17)26-23)15-21-24(16)19-9-5-6-10-20(19)25(21,2)3;/h4-13,15H,1-3H3;/q-1;
InChIKeyYINLGJZMVGMQOW-UHFFFAOYSA-N
MW526.66 g/mol
LogP6.31
Rot. Bonds1

About iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline

iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline (PubChem CID 177115881) has the molecular formula C25H20IrN- and a molecular weight of 526.66 g/mol. Its IUPAC name is iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline.

Molecular Properties

Compound Nameiridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
PubChem CID177115881
Molecular FormulaC25H20IrN-
Molecular Weight526.66 g/mol
Exact Mass527.12
IUPAC Nameiridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
SMILESCc1[c-]c(-c2ccc3ccccc3n2)cc2c1-c1ccccc1C2(C)C.[Ir]
InChIInChI=1S/C25H20N.Ir/c1-16-14-18(23-13-12-17-8-4-7-11-22(17)26-23)15-21-24(16)19-9-5-6-10-20(19)25(21,2)3;/h4-13,15H,1-3H3;/q-1;
InChIKeyYINLGJZMVGMQOW-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);iridium(3+);pentane-2,4-dione
CID 172907496
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline
CID 126615875
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
CID 138573520
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;iridium;9-(4-pyridin-2-ylbenzene-5-id-1-yl)carbazole
CID 59798601
2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline
CID 59859336
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
9,9-dimethylfluorene;ethane;quinoline
CID 159714824
2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)quinoline;4-hydroxypent-3-en-2-one;iridium
CID 157230026
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949

Frequently Asked Questions

What is the IUPAC name of iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
The IUPAC name of iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline (CID 177115881) is iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline.
What is the SMILES notation for iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
The canonical SMILES for iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline is Cc1[c-]c(-c2ccc3ccccc3n2)cc2c1-c1ccccc1C2(C)C.[Ir].
What is the InChIKey of iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
The InChIKey is YINLGJZMVGMQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N.Ir/c1-16-14-18(23-13-12-17-8-4-7-11-22(17)26-23)15-21-24(16)19-9-5-6-10-20(19)25(21,2)3;/h4-13,15H,1-3H3;/q-1;.
What are the key properties of iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline has a molecular weight of 526.66 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline is sourced from PubChem (CID 177115881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).