15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium

C23H24Ir-2 — CID 155617855

IUPAC15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium
SMILESCC1(C)c2c[c-]c3c(ccc4ccc[c-]c43)c2C(C)(C)C1(C)C.[Ir]
InChIInChI=1S/C23H24.Ir/c1-21(2)19-14-13-17-16-10-8-7-9-15(16)11-12-18(17)20(19)22(3,4)23(21,5)6;/h7-9,11-12,14H,1-6H3;/q-2;
InChIKeyFMTHMYZQDSYHQF-UHFFFAOYSA-N
MW492.66 g/mol
LogP6.19
Rot. Bonds

About 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium

15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium (PubChem CID 155617855) has the molecular formula C23H24Ir-2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium.

Molecular Properties

Compound Name15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium
PubChem CID155617855
Molecular FormulaC23H24Ir-2
Molecular Weight492.66 g/mol
Exact Mass493.15
IUPAC Name15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium
SMILESCC1(C)c2c[c-]c3c(ccc4ccc[c-]c43)c2C(C)(C)C1(C)C.[Ir]
InChIInChI=1S/C23H24.Ir/c1-21(2)19-14-13-17-16-10-8-7-9-15(16)11-12-18(17)20(19)22(3,4)23(21,5)6;/h7-9,11-12,14H,1-6H3;/q-2;
InChIKeyFMTHMYZQDSYHQF-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium 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

CID 140687843
CID 140687843
1,1,2,2,3,3-hexafluoro-10H-indeno[4,5-h]quinolin-10-ide;iridium
CID 140820029
15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));2-[4-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]-3-phenyl-6-phenylpyridine;10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene;3-phenyl-6-phenyl-2-[4-[2-(4-phenyl-6-phenyl-3-pyridinyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 163695052
lithium 8-methoxy-1H-naphthalen-1-ide
CID 13417963
sodium 1H-benzo[a]anthracen-1-ide
CID 154109233
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-2-phenylpyridine;1,1,2,2,3,3-hexamethyl-10H-indeno[4,5-h]quinolin-10-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
CID 159627299
lithium 8-naphthalen-1-yl-1H-naphthalen-1-ide
CID 177406030
iridium;1,3,3-trimethyl-2,10-dihydroindolo[4,5-h]quinolin-10-ide
CID 140820118
CID 140820154
CID 140820154
2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)quinoline;4-hydroxypent-3-en-2-one;iridium
CID 157230026
8-(trifluoromethyl)-1H-naphthalen-1-ide;yttrium
CID 166533772
CID 59621930
CID 59621930

Frequently Asked Questions

What is the IUPAC name of 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium?
The IUPAC name of 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium (CID 155617855) is 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium.
What is the SMILES notation for 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium?
The canonical SMILES for 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium is CC1(C)c2c[c-]c3c(ccc4ccc[c-]c43)c2C(C)(C)C1(C)C.[Ir].
What is the InChIKey of 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium?
The InChIKey is FMTHMYZQDSYHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.Ir/c1-21(2)19-14-13-17-16-10-8-7-9-15(16)11-12-18(17)20(19)22(3,4)23(21,5)6;/h7-9,11-12,14H,1-6H3;/q-2;.
What are the key properties of 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium?
15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium has a molecular weight of 492.66 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15,16,16,17,17-hexamethyl-1,11-dihydrocyclopenta[a]phenanthrene-1,11-diide;iridium is sourced from PubChem (CID 155617855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).