[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

C65H69GeIrN5O-2 — CID 156668976

IUPAC[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
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(CC(C)(C)C)ccc45)n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c32)n1.[Ir]
InChIInChI=1S/C45H43N4O.C20H26GeN.Ir/c1-26(2)36-23-30(29-13-10-9-11-14-29)24-37(27(3)4)40(36)49-41-34-19-17-28(5)46-38(34)21-22-39(41)48-43(49)35-16-12-15-32-33-20-18-31(25-45(6,7)8)47-44(33)50-42(32)35;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;/h9-15,17-24,26-27H,25H2,1-8H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyOGGITVCFCNDECH-UHFFFAOYSA-N
MW1201.13 g/mol
LogP16.97
Rot. Bonds10

About [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

[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 (PubChem CID 156668976) has the molecular formula C65H69GeIrN5O-2 and a molecular weight of 1201.13 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID156668976
Molecular FormulaC65H69GeIrN5O-2
Molecular Weight1201.13 g/mol
Exact Mass1202.44
IUPAC Name[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
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(CC(C)(C)C)ccc45)n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c32)n1.[Ir]
InChIInChI=1S/C45H43N4O.C20H26GeN.Ir/c1-26(2)36-23-30(29-13-10-9-11-14-29)24-37(27(3)4)40(36)49-41-34-19-17-28(5)46-38(34)21-22-39(41)48-43(49)35-16-12-15-32-33-20-18-31(25-45(6,7)8)47-44(33)50-42(32)35;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;/h9-15,17-24,26-27H,25H2,1-8H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyOGGITVCFCNDECH-UHFFFAOYSA-N
XLogP16.97
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms73
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.13
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(CC(C)(C)C)ccc45)n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c32)n1.[Ir].
What is the InChIKey of [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?
The InChIKey is OGGITVCFCNDECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43N4O.C20H26GeN.Ir/c1-26(2)36-23-30(29-13-10-9-11-14-29)24-37(27(3)4)40(36)49-41-34-19-17-28(5)46-38(34)21-22-39(41)48-43(49)35-16-12-15-32-33-20-18-31(25-45(6,7)8)47-44(33)50-42(32)35;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;/h9-15,17-24,26-27H,25H2,1-8H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;.
What are the key properties of [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?
[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 has a molecular weight of 1201.13 g/mol, XLogP of 16.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 156668976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).