iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine

C26H28IrN- — CID 140790019

IUPACiridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine
SMILESCC1(C)CCCC(C)(C)c2cc(-c3cc(-c4ccccc4)ccn3)[c-]cc21.[Ir]
InChIInChI=1S/C26H28N.Ir/c1-25(2)14-8-15-26(3,4)23-17-21(11-12-22(23)25)24-18-20(13-16-27-24)19-9-6-5-7-10-19;/h5-7,9-10,12-13,16-18H,8,14-15H2,1-4H3;/q-1;
InChIKeyWQFJQWXPOXVDNB-UHFFFAOYSA-N
MW546.73 g/mol
LogP6.95
Rot. Bonds2

About iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine

iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine (PubChem CID 140790019) has the molecular formula C26H28IrN- and a molecular weight of 546.73 g/mol. Its IUPAC name is iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine.

Molecular Properties

Compound Nameiridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine
PubChem CID140790019
Molecular FormulaC26H28IrN-
Molecular Weight546.73 g/mol
Exact Mass547.19
IUPAC Nameiridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine
SMILESCC1(C)CCCC(C)(C)c2cc(-c3cc(-c4ccccc4)ccn3)[c-]cc21.[Ir]
InChIInChI=1S/C26H28N.Ir/c1-25(2)14-8-15-26(3,4)23-17-21(11-12-22(23)25)24-18-20(13-16-27-24)19-9-6-5-7-10-19;/h5-7,9-10,12-13,16-18H,8,14-15H2,1-4H3;/q-1;
InChIKeyWQFJQWXPOXVDNB-UHFFFAOYSA-N
XLogP6.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.73
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine 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

2-(5,5,6,7,8,8-hexamethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)-4-phenylpyridine;iridium
CID 140789933
2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine;iridium;2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
CID 140790010
2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)
CID 165148556
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
2-(5,5,7,7,9,9-hexamethyl-6,8-dihydro-2H-benzo[7]annulen-2-id-3-yl)pyridine;5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine;iridium
CID 140789866
2-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyrazine;iridium;2-phenylpyridine
CID 140789863
CID 140756488
CID 140756488
iridium;4-(2,3,4,5,6-pentakis-phenylphenyl)-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-6-id-1-yl]pyridine
CID 153429636
N,N-dimethyl-4-phenyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazin-2-amine;iridium
CID 140826638
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
CID 140789925
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine?
The IUPAC name of iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine (CID 140790019) is iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine.
What is the SMILES notation for iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine?
The canonical SMILES for iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine is CC1(C)CCCC(C)(C)c2cc(-c3cc(-c4ccccc4)ccn3)[c-]cc21.[Ir].
What is the InChIKey of iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine?
The InChIKey is WQFJQWXPOXVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N.Ir/c1-25(2)14-8-15-26(3,4)23-17-21(11-12-22(23)25)24-18-20(13-16-27-24)19-9-6-5-7-10-19;/h5-7,9-10,12-13,16-18H,8,14-15H2,1-4H3;/q-1;.
What are the key properties of iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine?
iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine has a molecular weight of 546.73 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-2-(5,5,9,9-tetramethyl-2,6,7,8-tetrahydrobenzo[7]annulen-2-id-3-yl)pyridine is sourced from PubChem (CID 140790019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).