3,3-dimethyl-2-phenylindole;iridium

C16H14IrN- — CID 21014664

IUPAC3,3-dimethyl-2-phenylindole;iridium
SMILESCC1(C)C(c2[c-]cccc2)=Nc2ccccc21.[Ir]
InChIInChI=1S/C16H14N.Ir/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;/h3-8,10-11H,1-2H3;/q-1;
InChIKeyNHOWUKHTKWPSDZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.90
Rot. Bonds1

About 3,3-dimethyl-2-phenylindole;iridium

3,3-dimethyl-2-phenylindole;iridium (PubChem CID 21014664) has the molecular formula C16H14IrN- and a molecular weight of 412.51 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenylindole;iridium.

Molecular Properties

Compound Name3,3-dimethyl-2-phenylindole;iridium
PubChem CID21014664
Molecular FormulaC16H14IrN-
Molecular Weight412.51 g/mol
Exact Mass413.08
IUPAC Name3,3-dimethyl-2-phenylindole;iridium
SMILESCC1(C)C(c2[c-]cccc2)=Nc2ccccc21.[Ir]
InChIInChI=1S/C16H14N.Ir/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;/h3-8,10-11H,1-2H3;/q-1;
InChIKeyNHOWUKHTKWPSDZ-UHFFFAOYSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.90
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

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CID 58982990
3,3-dimethyl-2-phenylindole;ethane
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bis(2,3,3-trimethylindole);dihydrobromide
CID 175169971
iridium;phenylbenzene
CID 58599975
4,4-dimethyl-1-phenyl-3H-isoquinoline;iridium
CID 58983011
1,1-dimethyl-3-phenylisoindole;iridium
CID 21063359
2,2-dimethyl-3-phenyl-1,4-benzoxazine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58983140
lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole
CID 134844683
ethane;phenylbenzene;yttrium
CID 161119758
5,5-dimethyl-4-phenyl-1,2-dihydro-3-benzazepine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58983287
iridium;2-[2-methanidyl-4-(trifluoromethyl)phenyl]-3,3-dimethylindole
CID 21063370
3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)
CID 140824228

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenylindole;iridium?
The IUPAC name of 3,3-dimethyl-2-phenylindole;iridium (CID 21014664) is 3,3-dimethyl-2-phenylindole;iridium.
What is the SMILES notation for 3,3-dimethyl-2-phenylindole;iridium?
The canonical SMILES for 3,3-dimethyl-2-phenylindole;iridium is CC1(C)C(c2[c-]cccc2)=Nc2ccccc21.[Ir].
What is the InChIKey of 3,3-dimethyl-2-phenylindole;iridium?
The InChIKey is NHOWUKHTKWPSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N.Ir/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;/h3-8,10-11H,1-2H3;/q-1;.
What are the key properties of 3,3-dimethyl-2-phenylindole;iridium?
3,3-dimethyl-2-phenylindole;iridium has a molecular weight of 412.51 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenylindole;iridium is sourced from PubChem (CID 21014664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).