4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)

C102H112Ge2Ir2N4O2-4 — CID 163667107

IUPAC4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc(C)c(-c2ccc3c(c2)oc2c[c-]c(-c4cc(C(C(C)C)C5CCCC5)ccn4)cc23)c1C.Cc1cccc(C)c1-c1ccc2c(c1)oc1c[c-]c(-c3nccc4c3CCCC4)cc12.[Ir].[Ir]
InChIInChI=1S/C35H36NO.C29H24NO.2C19H26GeN.2Ir/c1-21(2)34(25-8-6-7-9-25)28-16-17-36-31(19-28)26-13-15-32-30(18-26)29-14-12-27(20-33(29)37-32)35-23(4)11-10-22(3)24(35)5;1-18-6-5-7-19(2)28(18)21-10-12-24-25-16-22(11-13-26(25)31-27(24)17-21)29-23-9-4-3-8-20(23)14-15-30-29;2*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;/h10-12,14-21,25,34H,6-9H2,1-5H3;5-7,10,12-17H,3-4,8-9H2,1-2H3;2*7-10,12,14H,13H2,1-6H3;;/q4*-1;;
InChIKeyHMAZUBVYFIBAJN-UHFFFAOYSA-N
MW1955.70 g/mol
LogP26.94
Rot. Bonds13

About 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)

4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium) (PubChem CID 163667107) has the molecular formula C102H112Ge2Ir2N4O2-4 and a molecular weight of 1955.70 g/mol. Its IUPAC name is 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium).

Molecular Properties

Compound Name4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)
PubChem CID163667107
Molecular FormulaC102H112Ge2Ir2N4O2-4
Molecular Weight1955.70 g/mol
Exact Mass1958.65
IUPAC Name4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc(C)c(-c2ccc3c(c2)oc2c[c-]c(-c4cc(C(C(C)C)C5CCCC5)ccn4)cc23)c1C.Cc1cccc(C)c1-c1ccc2c(c1)oc1c[c-]c(-c3nccc4c3CCCC4)cc12.[Ir].[Ir]
InChIInChI=1S/C35H36NO.C29H24NO.2C19H26GeN.2Ir/c1-21(2)34(25-8-6-7-9-25)28-16-17-36-31(19-28)26-13-15-32-30(18-26)29-14-12-27(20-33(29)37-32)35-23(4)11-10-22(3)24(35)5;1-18-6-5-7-19(2)28(18)21-10-12-24-25-16-22(11-13-26(25)31-27(24)17-21)29-23-9-4-3-8-20(23)14-15-30-29;2*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;/h10-12,14-21,25,34H,6-9H2,1-5H3;5-7,10,12-17H,3-4,8-9H2,1-2H3;2*7-10,12,14H,13H2,1-6H3;;/q4*-1;;
InChIKeyHMAZUBVYFIBAJN-UHFFFAOYSA-N
XLogP26.94
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001955.70
LogP ≤ 526.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)?
The IUPAC name of 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium) (CID 163667107) is 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium).
What is the SMILES notation for 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)?
The canonical SMILES for 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium) is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc(C)c(-c2ccc3c(c2)oc2c[c-]c(-c4cc(C(C(C)C)C5CCCC5)ccn4)cc23)c1C.Cc1cccc(C)c1-c1ccc2c(c1)oc1c[c-]c(-c3nccc4c3CCCC4)cc12.[Ir].[Ir].
What is the InChIKey of 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)?
The InChIKey is HMAZUBVYFIBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36NO.C29H24NO.2C19H26GeN.2Ir/c1-21(2)34(25-8-6-7-9-25)28-16-17-36-31(19-28)26-13-15-32-30(18-26)29-14-12-27(20-33(29)37-32)35-23(4)11-10-22(3)24(35)5;1-18-6-5-7-19(2)28(18)21-10-12-24-25-16-22(11-13-26(25)31-27(24)17-21)29-23-9-4-3-8-20(23)14-15-30-29;2*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;/h10-12,14-21,25,34H,6-9H2,1-5H3;5-7,10,12-17H,3-4,8-9H2,1-2H3;2*7-10,12,14H,13H2,1-6H3;;/q4*-1;;.
What are the key properties of 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium)?
4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium) has a molecular weight of 1955.70 g/mol, XLogP of 26.94, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-2-methylpropyl)-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;1-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-5,6,7,8-tetrahydroisoquinoline;bis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);bis(iridium) is sourced from PubChem (CID 163667107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).