N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide

C100H70N8O2 — CID 134313350

IUPACN-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide
SMILESCN(C(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2cc(-c3ccc(N(C)C(=O)c4cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)c4)cc3)ncn2)cc1
InChIInChI=1S/C100H70N8O2/c1-107(99(109)81-61-77(89-23-7-3-19-85(89)67-31-39-71(40-32-67)93-27-11-15-55-101-93)59-78(62-81)90-24-8-4-20-86(90)68-33-41-72(42-34-68)94-28-12-16-56-102-94)83-51-47-75(48-52-83)97-65-98(106-66-105-97)76-49-53-84(54-50-76)108(2)100(110)82-63-79(91-25-9-5-21-87(91)69-35-43-73(44-36-69)95-29-13-17-57-103-95)60-80(64-82)92-26-10-6-22-88(92)70-37-45-74(46-38-70)96-30-14-18-58-104-96/h3-66H,1-2H3
InChIKeySXBCTRIYPPZTTC-UHFFFAOYSA-N
MW1415.71 g/mol
LogP23.95
Rot. Bonds18

About N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide

N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide (PubChem CID 134313350) has the molecular formula C100H70N8O2 and a molecular weight of 1415.71 g/mol. Its IUPAC name is N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide
PubChem CID134313350
Molecular FormulaC100H70N8O2
Molecular Weight1415.71 g/mol
Exact Mass1414.56
IUPAC NameN-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide
SMILESCN(C(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2cc(-c3ccc(N(C)C(=O)c4cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)c4)cc3)ncn2)cc1
InChIInChI=1S/C100H70N8O2/c1-107(99(109)81-61-77(89-23-7-3-19-85(89)67-31-39-71(40-32-67)93-27-11-15-55-101-93)59-78(62-81)90-24-8-4-20-86(90)68-33-41-72(42-34-68)94-28-12-16-56-102-94)83-51-47-75(48-52-83)97-65-98(106-66-105-97)76-49-53-84(54-50-76)108(2)100(110)82-63-79(91-25-9-5-21-87(91)69-35-43-73(44-36-69)95-29-13-17-57-103-95)60-80(64-82)92-26-10-6-22-88(92)70-37-45-74(46-38-70)96-30-14-18-58-104-96/h3-66H,1-2H3
InChIKeySXBCTRIYPPZTTC-UHFFFAOYSA-N
XLogP23.95
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.71
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide?
The IUPAC name of N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide (CID 134313350) is N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide?
The canonical SMILES for N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide is CN(C(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2cc(-c3ccc(N(C)C(=O)c4cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)c4)cc3)ncn2)cc1.
What is the InChIKey of N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide?
The InChIKey is SXBCTRIYPPZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H70N8O2/c1-107(99(109)81-61-77(89-23-7-3-19-85(89)67-31-39-71(40-32-67)93-27-11-15-55-101-93)59-78(62-81)90-24-8-4-20-86(90)68-33-41-72(42-34-68)94-28-12-16-56-102-94)83-51-47-75(48-52-83)97-65-98(106-66-105-97)76-49-53-84(54-50-76)108(2)100(110)82-63-79(91-25-9-5-21-87(91)69-35-43-73(44-36-69)95-29-13-17-57-103-95)60-80(64-82)92-26-10-6-22-88(92)70-37-45-74(46-38-70)96-30-14-18-58-104-96/h3-66H,1-2H3.
What are the key properties of N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide?
N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide has a molecular weight of 1415.71 g/mol, XLogP of 23.95, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-[[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzoyl]-methylamino]phenyl]pyrimidin-4-yl]phenyl]-N-methyl-3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]benzamide is sourced from PubChem (CID 134313350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).