tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)

C72H57IrN3+3 — CID 175811076

IUPACtris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
SMILESCc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.[Ir+3]
InChIInChI=1S/3C24H19N.Ir/c3*1-15-13-21-19-9-5-4-8-18(19)14-22(21)23(16(15)2)24-20-10-6-3-7-17(20)11-12-25-24;/h3*3-13H,14H2,1-2H3;/q;;;+3
InChIKeyYOSDSLZUTWHJTE-UHFFFAOYSA-N
MW1156.49 g/mol
LogP18.27
Rot. Bonds3

About tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)

tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+) (PubChem CID 175811076) has the molecular formula C72H57IrN3+3 and a molecular weight of 1156.49 g/mol. Its IUPAC name is tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+).

Molecular Properties

Compound Nametris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
PubChem CID175811076
Molecular FormulaC72H57IrN3+3
Molecular Weight1156.49 g/mol
Exact Mass1156.42
IUPAC Nametris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
SMILESCc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.[Ir+3]
InChIInChI=1S/3C24H19N.Ir/c3*1-15-13-21-19-9-5-4-8-18(19)14-22(21)23(16(15)2)24-20-10-6-3-7-17(20)11-12-25-24;/h3*3-13H,14H2,1-2H3;/q;;;+3
InChIKeyYOSDSLZUTWHJTE-UHFFFAOYSA-N
XLogP18.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.49
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
CID 166545030
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
CID 166544861
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-benzoselenophen-2-yl]phenyl]-6-phenyltriazine
CID 166133641
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
CID 175031439
7-[5,6-bis(2,3-dimethyl-9H-fluoren-1-yl)triazin-4-yl]-5-thia-6-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,6,8,11,14,16,18-nonaene
CID 166133939
1,3-dimethyl-N-phenyl-9H-fluoren-2-amine
CID 174831401
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619

Frequently Asked Questions

What is the IUPAC name of tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)?
The IUPAC name of tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+) (CID 175811076) is tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+).
What is the SMILES notation for tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)?
The canonical SMILES for tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+) is Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.Cc1cc2c(c(-c3nccc4ccccc34)c1C)Cc1ccccc1-2.[Ir+3].
What is the InChIKey of tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)?
The InChIKey is YOSDSLZUTWHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H19N.Ir/c3*1-15-13-21-19-9-5-4-8-18(19)14-22(21)23(16(15)2)24-20-10-6-3-7-17(20)11-12-25-24;/h3*3-13H,14H2,1-2H3;/q;;;+3.
What are the key properties of tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)?
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+) has a molecular weight of 1156.49 g/mol, XLogP of 18.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+) is sourced from PubChem (CID 175811076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).