diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane

C125H89Be2N9O4Si+4 — CID 160501010

IUPACdiberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane
SMILES[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.c1ccc([Si](c2ccccc2)(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)c1
InChIInChI=1S/C39H27N3.C34H26N2Si.4C13H9NO.2Be/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36;1-3-11-31(12-4-1)37(32-13-5-2-6-14-32,33-19-15-27(16-20-33)29-9-7-23-35-25-29)34-21-17-28(18-22-34)30-10-8-24-36-26-30;4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h1-27H;1-26H;4*1-8,15H;;/q;;;;;;2*+2
InChIKeyQRTXJQSYJLQDQT-UHFFFAOYSA-N
MW1827.26 g/mol
LogP21.82
Rot. Bonds12

About diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane

diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane (PubChem CID 160501010) has the molecular formula C125H89Be2N9O4Si+4 and a molecular weight of 1827.26 g/mol. Its IUPAC name is diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane.

Molecular Properties

Compound Namediberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane
PubChem CID160501010
Molecular FormulaC125H89Be2N9O4Si+4
Molecular Weight1827.26 g/mol
Exact Mass1825.70
IUPAC Namediberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane
SMILES[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.c1ccc([Si](c2ccccc2)(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)c1
InChIInChI=1S/C39H27N3.C34H26N2Si.4C13H9NO.2Be/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36;1-3-11-31(12-4-1)37(32-13-5-2-6-14-32,33-19-15-27(16-20-33)29-9-7-23-35-25-29)34-21-17-28(18-22-34)30-10-8-24-36-26-30;4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h1-27H;1-26H;4*1-8,15H;;/q;;;;;;2*+2
InChIKeyQRTXJQSYJLQDQT-UHFFFAOYSA-N
XLogP21.82
TPSA213.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001827.26
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane?
The IUPAC name of diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane (CID 160501010) is diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane.
What is the SMILES notation for diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane?
The canonical SMILES for diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane is [Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.c1ccc([Si](c2ccccc2)(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)c1.
What is the InChIKey of diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane?
The InChIKey is QRTXJQSYJLQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3.C34H26N2Si.4C13H9NO.2Be/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36;1-3-11-31(12-4-1)37(32-13-5-2-6-14-32,33-19-15-27(16-20-33)29-9-7-23-35-25-29)34-21-17-28(18-22-34)30-10-8-24-36-26-30;4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h1-27H;1-26H;4*1-8,15H;;/q;;;;;;2*+2.
What are the key properties of diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane?
diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane has a molecular weight of 1827.26 g/mol, XLogP of 21.82, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diberyllium;tetrakis(benzo[h]quinolin-1-ium-10-olate);3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;diphenyl-bis(4-pyridin-3-ylphenyl)silane is sourced from PubChem (CID 160501010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).