iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C25H14IrN- — CID 59621866

IUPACiridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILES[Ir].[c-]1c(-c2cc3c4c(cccc4n2)-c2ccccc2-3)ccc2ccccc12
InChIInChI=1S/C25H14N.Ir/c1-2-7-17-14-18(13-12-16(17)6-1)24-15-22-20-9-4-3-8-19(20)21-10-5-11-23(26-24)25(21)22;/h1-13,15H;/q-1;
InChIKeyWATCULISALVAKR-UHFFFAOYSA-N
MW520.61 g/mol
LogP6.50
Rot. Bonds1

About iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 59621866) has the molecular formula C25H14IrN- and a molecular weight of 520.61 g/mol. Its IUPAC name is iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Nameiridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID59621866
Molecular FormulaC25H14IrN-
Molecular Weight520.61 g/mol
Exact Mass521.08
IUPAC Nameiridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILES[Ir].[c-]1c(-c2cc3c4c(cccc4n2)-c2ccccc2-3)ccc2ccccc12
InChIInChI=1S/C25H14N.Ir/c1-2-7-17-14-18(13-12-16(17)6-1)24-15-22-20-9-4-3-8-19(20)21-10-5-11-23(26-24)25(21)22;/h1-13,15H;/q-1;
InChIKeyWATCULISALVAKR-UHFFFAOYSA-N
XLogP6.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene with MolForge

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Related Compounds

3-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59845177
3-[3-(4-fluorophenyl)benzene-6-id-1-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium
CID 59621804
3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621439
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
iridium;3-(3-methylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;2-pyridin-2-ylpyridine
CID 59621959
3-(2H-dibenzothiophen-2-id-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium
CID 59622151
3-(3H-1-benzothiophen-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;pyridine-2-sulfonic acid
CID 59621462
4-hydroxypent-3-en-2-one;iridium;3-(4-phenylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 152910869
3-(3H-anthracen-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;4-hydroxypent-3-en-2-one;iridium
CID 160853516
3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine
CID 59621773
3-(3-phenoxyphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621569
3-(4-ethenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621646

Frequently Asked Questions

What is the IUPAC name of iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 59621866) is iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is [Ir].[c-]1c(-c2cc3c4c(cccc4n2)-c2ccccc2-3)ccc2ccccc12.
What is the InChIKey of iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is WATCULISALVAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N.Ir/c1-2-7-17-14-18(13-12-16(17)6-1)24-15-22-20-9-4-3-8-19(20)21-10-5-11-23(26-24)25(21)22;/h1-13,15H;/q-1;.
What are the key properties of iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 520.61 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(1H-naphthalen-1-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 59621866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).