2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile

C102H84N18O6 — CID 132602058

IUPAC2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(OCc3c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c3COc3ccc(C4C(C#N)=C(C)NC(C)=C4C#N)cc3)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C102H84N18O6/c1-55-79(37-103)97(80(38-104)56(2)115-55)67-13-25-73(26-14-67)121-49-91-92(50-122-74-27-15-68(16-28-74)98-81(39-105)57(3)116-58(4)82(98)40-106)94(52-124-76-31-19-70(20-32-76)100-85(43-109)61(7)118-62(8)86(100)44-110)96(54-126-78-35-23-72(24-36-78)102-89(47-113)65(11)120-66(12)90(102)48-114)95(53-125-77-33-21-71(22-34-77)101-87(45-111)63(9)119-64(10)88(101)46-112)93(91)51-123-75-29-17-69(18-30-75)99-83(41-107)59(5)117-60(6)84(99)42-108/h13-36,97-102,115-120H,49-54H2,1-12H3
InChIKeyZKOPUSRUOHMSPY-UHFFFAOYSA-N
MW1657.91 g/mol
LogP18.85
Rot. Bonds24

About 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 132602058) has the molecular formula C102H84N18O6 and a molecular weight of 1657.91 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID132602058
Molecular FormulaC102H84N18O6
Molecular Weight1657.91 g/mol
Exact Mass1656.68
IUPAC Name2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(OCc3c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c3COc3ccc(C4C(C#N)=C(C)NC(C)=C4C#N)cc3)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C102H84N18O6/c1-55-79(37-103)97(80(38-104)56(2)115-55)67-13-25-73(26-14-67)121-49-91-92(50-122-74-27-15-68(16-28-74)98-81(39-105)57(3)116-58(4)82(98)40-106)94(52-124-76-31-19-70(20-32-76)100-85(43-109)61(7)118-62(8)86(100)44-110)96(54-126-78-35-23-72(24-36-78)102-89(47-113)65(11)120-66(12)90(102)48-114)95(53-125-77-33-21-71(22-34-77)101-87(45-111)63(9)119-64(10)88(101)46-112)93(91)51-123-75-29-17-69(18-30-75)99-83(41-107)59(5)117-60(6)84(99)42-108/h13-36,97-102,115-120H,49-54H2,1-12H3
InChIKeyZKOPUSRUOHMSPY-UHFFFAOYSA-N
XLogP18.85
TPSA413.04 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001657.91
LogP ≤ 518.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4626184
4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4073554
[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]methyl acetate
CID 70197006
[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl] benzoate
CID 140505140
(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 1047833
4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 51057968
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
ethyl 6-amino-5-cyano-4-[4-[(4-fluorophenoxy)methyl]phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169390832
2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 21293070
2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 151797160
2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957253
4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile
CID 143690972

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile (CID 132602058) is 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc(OCc3c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c(COc4ccc(C5C(C#N)=C(C)NC(C)=C5C#N)cc4)c3COc3ccc(C4C(C#N)=C(C)NC(C)=C4C#N)cc3)cc2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ZKOPUSRUOHMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H84N18O6/c1-55-79(37-103)97(80(38-104)56(2)115-55)67-13-25-73(26-14-67)121-49-91-92(50-122-74-27-15-68(16-28-74)98-81(39-105)57(3)116-58(4)82(98)40-106)94(52-124-76-31-19-70(20-32-76)100-85(43-109)61(7)118-62(8)86(100)44-110)96(54-126-78-35-23-72(24-36-78)102-89(47-113)65(11)120-66(12)90(102)48-114)95(53-125-77-33-21-71(22-34-77)101-87(45-111)63(9)119-64(10)88(101)46-112)93(91)51-123-75-29-17-69(18-30-75)99-83(41-107)59(5)117-60(6)84(99)42-108/h13-36,97-102,115-120H,49-54H2,1-12H3.
What are the key properties of 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 1657.91 g/mol, XLogP of 18.85, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 132602058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).