[7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane

C60H53N3Si — CID 177088161

IUPAC[7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc2c(c1)-c1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccc(-c7cccnc7)cc6)nc(-c6ccc(-c7cccnc7)cc6)c5)c4)c3)cc1C2(C)C
InChIInChI=1S/C60H53N3Si/c1-6-64(7-2,8-3)53-28-30-56-55(38-53)54-29-27-49(35-57(54)60(56,4)5)47-15-9-13-45(33-47)46-14-10-16-48(34-46)52-36-58(43-23-19-41(20-24-43)50-17-11-31-61-39-50)63-59(37-52)44-25-21-42(22-26-44)51-18-12-32-62-40-51/h9-40H,6-8H2,1-5H3
InChIKeyKOPLNVLUHDZDAQ-UHFFFAOYSA-N
MW844.19 g/mol
LogP15.56
Rot. Bonds11

About [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane

[7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane (PubChem CID 177088161) has the molecular formula C60H53N3Si and a molecular weight of 844.19 g/mol. Its IUPAC name is [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane.

Molecular Properties

Compound Name[7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane
PubChem CID177088161
Molecular FormulaC60H53N3Si
Molecular Weight844.19 g/mol
Exact Mass843.40
IUPAC Name[7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc2c(c1)-c1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccc(-c7cccnc7)cc6)nc(-c6ccc(-c7cccnc7)cc6)c5)c4)c3)cc1C2(C)C
InChIInChI=1S/C60H53N3Si/c1-6-64(7-2,8-3)53-28-30-56-55(38-53)54-29-27-49(35-57(54)60(56,4)5)47-15-9-13-45(33-47)46-14-10-16-48(34-46)52-36-58(43-23-19-41(20-24-43)50-17-11-31-61-39-50)63-59(37-52)44-25-21-42(22-26-44)51-18-12-32-62-40-51/h9-40H,6-8H2,1-5H3
InChIKeyKOPLNVLUHDZDAQ-UHFFFAOYSA-N
XLogP15.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.19
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane?
The IUPAC name of [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane (CID 177088161) is [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane.
What is the SMILES notation for [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane?
The canonical SMILES for [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane is CC[Si](CC)(CC)c1ccc2c(c1)-c1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccc(-c7cccnc7)cc6)nc(-c6ccc(-c7cccnc7)cc6)c5)c4)c3)cc1C2(C)C.
What is the InChIKey of [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane?
The InChIKey is KOPLNVLUHDZDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N3Si/c1-6-64(7-2,8-3)53-28-30-56-55(38-53)54-29-27-49(35-57(54)60(56,4)5)47-15-9-13-45(33-47)46-14-10-16-48(34-46)52-36-58(43-23-19-41(20-24-43)50-17-11-31-61-39-50)63-59(37-52)44-25-21-42(22-26-44)51-18-12-32-62-40-51/h9-40H,6-8H2,1-5H3.
What are the key properties of [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane?
[7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane has a molecular weight of 844.19 g/mol, XLogP of 15.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-[3-[2,6-bis(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]-triethylsilane is sourced from PubChem (CID 177088161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).