5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide

C80H60N10O4 — CID 139524618

IUPAC5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccc3)nc2)cc(-c2cccc(-c3cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)c3)c2-c2cnc(-c3ccccc3)nc2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C80H60N10O4/c1-87(65-33-37-71(81-49-65)53-21-10-5-11-22-53)77(91)60-41-58(42-61(45-60)78(92)88(2)66-34-38-72(82-50-66)54-23-12-6-13-24-54)69-31-20-32-70(75(69)64-47-85-76(86-48-64)57-29-18-9-19-30-57)59-43-62(79(93)89(3)67-35-39-73(83-51-67)55-25-14-7-15-26-55)46-63(44-59)80(94)90(4)68-36-40-74(84-52-68)56-27-16-8-17-28-56/h5-52H,1-4H3
InChIKeyHPOOSPWKMMFNKX-UHFFFAOYSA-N
MW1225.43 g/mol
LogP16.50
Rot. Bonds16

About 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide

5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide (PubChem CID 139524618) has the molecular formula C80H60N10O4 and a molecular weight of 1225.43 g/mol. Its IUPAC name is 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide
PubChem CID139524618
Molecular FormulaC80H60N10O4
Molecular Weight1225.43 g/mol
Exact Mass1224.48
IUPAC Name5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccc3)nc2)cc(-c2cccc(-c3cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)c3)c2-c2cnc(-c3ccccc3)nc2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C80H60N10O4/c1-87(65-33-37-71(81-49-65)53-21-10-5-11-22-53)77(91)60-41-58(42-61(45-60)78(92)88(2)66-34-38-72(82-50-66)54-23-12-6-13-24-54)69-31-20-32-70(75(69)64-47-85-76(86-48-64)57-29-18-9-19-30-57)59-43-62(79(93)89(3)67-35-39-73(83-51-67)55-25-14-7-15-26-55)46-63(44-59)80(94)90(4)68-36-40-74(84-52-68)56-27-16-8-17-28-56/h5-52H,1-4H3
InChIKeyHPOOSPWKMMFNKX-UHFFFAOYSA-N
XLogP16.50
TPSA158.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.43
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide (CID 139524618) is 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccc3)nc2)cc(-c2cccc(-c3cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)c3)c2-c2cnc(-c3ccccc3)nc2)c1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide?
The InChIKey is HPOOSPWKMMFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N10O4/c1-87(65-33-37-71(81-49-65)53-21-10-5-11-22-53)77(91)60-41-58(42-61(45-60)78(92)88(2)66-34-38-72(82-50-66)54-23-12-6-13-24-54)69-31-20-32-70(75(69)64-47-85-76(86-48-64)57-29-18-9-19-30-57)59-43-62(79(93)89(3)67-35-39-73(83-51-67)55-25-14-7-15-26-55)46-63(44-59)80(94)90(4)68-36-40-74(84-52-68)56-27-16-8-17-28-56/h5-52H,1-4H3.
What are the key properties of 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide?
5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide has a molecular weight of 1225.43 g/mol, XLogP of 16.50, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-bis[methyl-(6-phenyl-3-pyridinyl)carbamoyl]phenyl]-2-(2-phenylpyrimidin-5-yl)phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(6-phenyl-3-pyridinyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 139524618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).