iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane

C50H48GeIrN2O2-2 — CID 164832446

IUPACiridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2c4ccccc4cc([Ge](C)(C)C)c32)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(C(C)C)ccc23)c1.[Ir]
InChIInChI=1S/C27H26GeNO.C23H22NO.Ir/c1-17(2)18-13-14-29-24(16-18)21-11-8-12-22-25-23(28(3,4)5)15-19-9-6-7-10-20(19)27(25)30-26(21)22;1-14(2)16-8-9-18-19-6-5-7-20(23(19)25-22(18)13-16)21-12-17(15(3)4)10-11-24-21;/h6-10,12-17H,1-5H3;5-6,8-15H,1-4H3;/q2*-1;
InChIKeyNQFRPGQLOBVGTB-UHFFFAOYSA-N
MW973.77 g/mol
LogP13.96
Rot. Bonds6

About iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane

iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane (PubChem CID 164832446) has the molecular formula C50H48GeIrN2O2-2 and a molecular weight of 973.77 g/mol. Its IUPAC name is iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane.

Molecular Properties

Compound Nameiridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane
PubChem CID164832446
Molecular FormulaC50H48GeIrN2O2-2
Molecular Weight973.77 g/mol
Exact Mass975.26
IUPAC Nameiridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2c4ccccc4cc([Ge](C)(C)C)c32)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(C(C)C)ccc23)c1.[Ir]
InChIInChI=1S/C27H26GeNO.C23H22NO.Ir/c1-17(2)18-13-14-29-24(16-18)21-11-8-12-22-25-23(28(3,4)5)15-19-9-6-7-10-20(19)27(25)30-26(21)22;1-14(2)16-8-9-18-19-6-5-7-20(23(19)25-22(18)13-16)21-12-17(15(3)4)10-11-24-21;/h6-10,12-17H,1-5H3;5-6,8-15H,1-4H3;/q2*-1;
InChIKeyNQFRPGQLOBVGTB-UHFFFAOYSA-N
XLogP13.96
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.77
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane with MolForge

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Related Compounds

2-(9H-anthra[1,2-b][1]benzothiol-9-id-8-yl)-5-propan-2-ylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;iridium
CID 154600701
CID 164846151
CID 164846151
iridium;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane
CID 166574461
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710192
CID 166588083
CID 166588083
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166578394
iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686807
iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 155612009
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574889
iridium;trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832485
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098

Frequently Asked Questions

What is the IUPAC name of iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane?
The IUPAC name of iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane (CID 164832446) is iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane.
What is the SMILES notation for iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane?
The canonical SMILES for iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane is CC(C)c1ccnc(-c2[c-]ccc3c2oc2c4ccccc4cc([Ge](C)(C)C)c32)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(C(C)C)ccc23)c1.[Ir].
What is the InChIKey of iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane?
The InChIKey is NQFRPGQLOBVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26GeNO.C23H22NO.Ir/c1-17(2)18-13-14-29-24(16-18)21-11-8-12-22-25-23(28(3,4)5)15-19-9-6-7-10-20(19)27(25)30-26(21)22;1-14(2)16-8-9-18-19-6-5-7-20(23(19)25-22(18)13-16)21-12-17(15(3)4)10-11-24-21;/h6-10,12-17H,1-5H3;5-6,8-15H,1-4H3;/q2*-1;.
What are the key properties of iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane?
iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane has a molecular weight of 973.77 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-propan-2-yl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[10-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-6-yl]germane is sourced from PubChem (CID 164832446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).