4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C52H56GeIrN2O-2 — CID 155610922

IUPAC4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)c1cnc(-c2[c-]c3c(cc2)oc2c(-c4ccccc4)cccc23)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir]
InChIInChI=1S/C32H30NO.C20H26GeN.Ir/c1-21(2)29-20-33-30(19-25(29)17-22-9-6-7-10-22)24-15-16-31-28(18-24)27-14-8-13-26(32(27)34-31)23-11-4-3-5-12-23;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h3-5,8,11-16,19-22H,6-7,9-10,17H2,1-2H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyDRQBOXWTVRKLFG-UHFFFAOYSA-N
MW989.86 g/mol
LogP13.80
Rot. Bonds9

About 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155610922) has the molecular formula C52H56GeIrN2O-2 and a molecular weight of 989.86 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
PubChem CID155610922
Molecular FormulaC52H56GeIrN2O-2
Molecular Weight989.86 g/mol
Exact Mass991.32
IUPAC Name4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)c1cnc(-c2[c-]c3c(cc2)oc2c(-c4ccccc4)cccc23)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir]
InChIInChI=1S/C32H30NO.C20H26GeN.Ir/c1-21(2)29-20-33-30(19-25(29)17-22-9-6-7-10-22)24-15-16-31-28(18-24)27-14-8-13-26(32(27)34-31)23-11-4-3-5-12-23;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h3-5,8,11-16,19-22H,6-7,9-10,17H2,1-2H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyDRQBOXWTVRKLFG-UHFFFAOYSA-N
XLogP13.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine
CID 155610923
4-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611873
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
5-(cyclopentylmethyl)-2-[7-(2,6-dimethylphenyl)-1H-dibenzofuran-1-id-2-yl]-4-methylpyridine;[4-(cyclopentylmethyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 155611510
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 155612324
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162777009
iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 166499170
iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577176
4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578580
3-(4-tert-butylphenyl)-6-methyl-2-(1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156670851
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2,2-dimethylpropyl)-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156668976
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578469

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 155610922) is 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)c1cnc(-c2[c-]c3c(cc2)oc2c(-c4ccccc4)cccc23)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir].
What is the InChIKey of 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is DRQBOXWTVRKLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30NO.C20H26GeN.Ir/c1-21(2)29-20-33-30(19-25(29)17-22-9-6-7-10-22)24-15-16-31-28(18-24)27-14-8-13-26(32(27)34-31)23-11-4-3-5-12-23;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h3-5,8,11-16,19-22H,6-7,9-10,17H2,1-2H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;.
What are the key properties of 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 989.86 g/mol, XLogP of 13.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155610922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).