2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine

C69H39F6N9 — CID 134191453

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
SMILESFc1cc(F)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)c4)cc3)nc2)n1
InChIInChI=1S/C69H39F6N9/c70-61-34-62(71)80-67(79-61)46-25-28-58(76-37-46)43-19-13-40(14-20-43)52-7-1-4-10-55(52)49-31-50(56-11-5-2-8-53(56)41-15-21-44(22-16-41)59-29-26-47(38-77-59)68-81-63(72)35-64(73)82-68)33-51(32-49)57-12-6-3-9-54(57)42-17-23-45(24-18-42)60-30-27-48(39-78-60)69-83-65(74)36-66(75)84-69/h1-39H
InChIKeyWMKRPINKFICAOG-UHFFFAOYSA-N
MW1108.12 g/mol
LogP17.08
Rot. Bonds12

About 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine (PubChem CID 134191453) has the molecular formula C69H39F6N9 and a molecular weight of 1108.12 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
PubChem CID134191453
Molecular FormulaC69H39F6N9
Molecular Weight1108.12 g/mol
Exact Mass1107.32
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
SMILESFc1cc(F)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)c4)cc3)nc2)n1
InChIInChI=1S/C69H39F6N9/c70-61-34-62(71)80-67(79-61)46-25-28-58(76-37-46)43-19-13-40(14-20-43)52-7-1-4-10-55(52)49-31-50(56-11-5-2-8-53(56)41-15-21-44(22-16-41)59-29-26-47(38-77-59)68-81-63(72)35-64(73)82-68)33-51(32-49)57-12-6-3-9-54(57)42-17-23-45(24-18-42)60-30-27-48(39-78-60)69-83-65(74)36-66(75)84-69/h1-39H
InChIKeyWMKRPINKFICAOG-UHFFFAOYSA-N
XLogP17.08
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.12
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine (CID 134191453) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine is Fc1cc(F)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)c4)cc3)nc2)n1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
The InChIKey is WMKRPINKFICAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H39F6N9/c70-61-34-62(71)80-67(79-61)46-25-28-58(76-37-46)43-19-13-40(14-20-43)52-7-1-4-10-55(52)49-31-50(56-11-5-2-8-53(56)41-15-21-44(22-16-41)59-29-26-47(38-77-59)68-81-63(72)35-64(73)82-68)33-51(32-49)57-12-6-3-9-54(57)42-17-23-45(24-18-42)60-30-27-48(39-78-60)69-83-65(74)36-66(75)84-69/h1-39H.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine has a molecular weight of 1108.12 g/mol, XLogP of 17.08, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine is sourced from PubChem (CID 134191453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).