5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

C92H68N10O4 — CID 134313339

IUPAC5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)n3)cc2)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C92H68N10O4/c1-99(75-41-33-63(34-42-75)83-21-9-13-50-93-83)89(103)71-55-69(56-72(59-71)90(104)100(2)76-43-35-64(36-44-76)84-22-10-14-51-94-84)81-19-7-5-17-79(81)61-25-29-67(30-26-61)87-49-54-97-88(98-87)68-31-27-62(28-32-68)80-18-6-8-20-82(80)70-57-73(91(105)101(3)77-45-37-65(38-46-77)85-23-11-15-52-95-85)60-74(58-70)92(106)102(4)78-47-39-66(40-48-78)86-24-12-16-53-96-86/h5-60H,1-4H3
InChIKeyBGKXWNANLHFSRE-UHFFFAOYSA-N
MW1377.62 g/mol
LogP19.83
Rot. Bonds18

About 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 134313339) has the molecular formula C92H68N10O4 and a molecular weight of 1377.62 g/mol. Its IUPAC name is 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID134313339
Molecular FormulaC92H68N10O4
Molecular Weight1377.62 g/mol
Exact Mass1376.54
IUPAC Name5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)n3)cc2)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C92H68N10O4/c1-99(75-41-33-63(34-42-75)83-21-9-13-50-93-83)89(103)71-55-69(56-72(59-71)90(104)100(2)76-43-35-64(36-44-76)84-22-10-14-51-94-84)81-19-7-5-17-79(81)61-25-29-67(30-26-61)87-49-54-97-88(98-87)68-31-27-62(28-32-68)80-18-6-8-20-82(80)70-57-73(91(105)101(3)77-45-37-65(38-46-77)85-23-11-15-52-95-85)60-74(58-70)92(106)102(4)78-47-39-66(40-48-78)86-24-12-16-53-96-86/h5-60H,1-4H3
InChIKeyBGKXWNANLHFSRE-UHFFFAOYSA-N
XLogP19.83
TPSA158.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.62
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (CID 134313339) is 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)n3)cc2)c1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is BGKXWNANLHFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H68N10O4/c1-99(75-41-33-63(34-42-75)83-21-9-13-50-93-83)89(103)71-55-69(56-72(59-71)90(104)100(2)76-43-35-64(36-44-76)84-22-10-14-51-94-84)81-19-7-5-17-79(81)61-25-29-67(30-26-61)87-49-54-97-88(98-87)68-31-27-62(28-32-68)80-18-6-8-20-82(80)70-57-73(91(105)101(3)77-45-37-65(38-46-77)85-23-11-15-52-95-85)60-74(58-70)92(106)102(4)78-47-39-66(40-48-78)86-24-12-16-53-96-86/h5-60H,1-4H3.
What are the key properties of 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 1377.62 g/mol, XLogP of 19.83, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 134313339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).