5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

C135H99N15O6 — CID 138744535

IUPAC5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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(-c3nc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)nc(-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/C135H99N15O6/c1-145(109-61-49-91(50-62-109)121-31-13-19-73-136-121)130(151)103-79-100(80-104(85-103)131(152)146(2)110-63-51-92(52-64-110)122-32-14-20-74-137-122)118-28-10-7-25-115(118)88-37-43-97(44-38-88)127-142-128(98-45-39-89(40-46-98)116-26-8-11-29-119(116)101-81-105(132(153)147(3)111-65-53-93(54-66-111)123-33-15-21-75-138-123)86-106(82-101)133(154)148(4)112-67-55-94(56-68-112)124-34-16-22-76-139-124)144-129(143-127)99-47-41-90(42-48-99)117-27-9-12-30-120(117)102-83-107(134(155)149(5)113-69-57-95(58-70-113)125-35-17-23-77-140-125)87-108(84-102)135(156)150(6)114-71-59-96(60-72-114)126-36-18-24-78-141-126/h7-87H,1-6H3
InChIKeyTXMMKXWQYGRFTR-UHFFFAOYSA-N
MW2027.38 g/mol
LogP28.91
Rot. Bonds27

About 5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 138744535) has the molecular formula C135H99N15O6 and a molecular weight of 2027.38 g/mol. Its IUPAC name is 5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID138744535
Molecular FormulaC135H99N15O6
Molecular Weight2027.38 g/mol
Exact Mass2025.79
IUPAC Name5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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(-c3nc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)nc(-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/C135H99N15O6/c1-145(109-61-49-91(50-62-109)121-31-13-19-73-136-121)130(151)103-79-100(80-104(85-103)131(152)146(2)110-63-51-92(52-64-110)122-32-14-20-74-137-122)118-28-10-7-25-115(118)88-37-43-97(44-38-88)127-142-128(98-45-39-89(40-46-98)116-26-8-11-29-119(116)101-81-105(132(153)147(3)111-65-53-93(54-66-111)123-33-15-21-75-138-123)86-106(82-101)133(154)148(4)112-67-55-94(56-68-112)124-34-16-22-76-139-124)144-129(143-127)99-47-41-90(42-48-99)117-27-9-12-30-120(117)102-83-107(134(155)149(5)113-69-57-95(58-70-113)125-35-17-23-77-140-125)87-108(84-102)135(156)150(6)114-71-59-96(60-72-114)126-36-18-24-78-141-126/h7-87H,1-6H3
InChIKeyTXMMKXWQYGRFTR-UHFFFAOYSA-N
XLogP28.91
TPSA237.87 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002027.38
LogP ≤ 528.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (CID 138744535) is 5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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(-c3nc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)nc(-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-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is TXMMKXWQYGRFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H99N15O6/c1-145(109-61-49-91(50-62-109)121-31-13-19-73-136-121)130(151)103-79-100(80-104(85-103)131(152)146(2)110-63-51-92(52-64-110)122-32-14-20-74-137-122)118-28-10-7-25-115(118)88-37-43-97(44-38-88)127-142-128(98-45-39-89(40-46-98)116-26-8-11-29-119(116)101-81-105(132(153)147(3)111-65-53-93(54-66-111)123-33-15-21-75-138-123)86-106(82-101)133(154)148(4)112-67-55-94(56-68-112)124-34-16-22-76-139-124)144-129(143-127)99-47-41-90(42-48-99)117-27-9-12-30-120(117)102-83-107(134(155)149(5)113-69-57-95(58-70-113)125-35-17-23-77-140-125)87-108(84-102)135(156)150(6)114-71-59-96(60-72-114)126-36-18-24-78-141-126/h7-87H,1-6H3.
What are the key properties of 5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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 2027.38 g/mol, XLogP of 28.91, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4,6-bis[4-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-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 138744535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).