5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C134H92F4N10O4 — CID 153448908

IUPAC5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2-c2cccc(-c3cccc(F)c3)c2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5-c5cccc(-c6cccc(F)c6)c5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5-c5cccc(-c6cccc(F)c6)c5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1-c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C134H92F4N10O4/c1-145(126-57-53-99(122-45-9-13-61-139-122)79-118(126)95-33-17-25-87(65-95)91-29-21-37-110(135)75-91)131(149)105-69-103(70-106(73-105)132(150)146(2)127-58-54-100(123-46-10-14-62-140-123)80-119(127)96-34-18-26-88(66-96)92-30-22-38-111(136)76-92)115-42-6-5-41-114(115)85-49-51-86(52-50-85)130-143-83-109(84-144-130)117-44-8-7-43-116(117)104-71-107(133(151)147(3)128-59-55-101(124-47-11-15-63-141-124)81-120(128)97-35-19-27-89(67-97)93-31-23-39-112(137)77-93)74-108(72-104)134(152)148(4)129-60-56-102(125-48-12-16-64-142-125)82-121(129)98-36-20-28-90(68-98)94-32-24-40-113(138)78-94/h5-84H,1-4H3
InChIKeyABYQNCNHGBOSRZ-UHFFFAOYSA-N
MW1982.27 g/mol
LogP32.06
Rot. Bonds25

About 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 153448908) has the molecular formula C134H92F4N10O4 and a molecular weight of 1982.27 g/mol. Its IUPAC name is 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID153448908
Molecular FormulaC134H92F4N10O4
Molecular Weight1982.27 g/mol
Exact Mass1980.72
IUPAC Name5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2-c2cccc(-c3cccc(F)c3)c2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5-c5cccc(-c6cccc(F)c6)c5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5-c5cccc(-c6cccc(F)c6)c5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1-c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C134H92F4N10O4/c1-145(126-57-53-99(122-45-9-13-61-139-122)79-118(126)95-33-17-25-87(65-95)91-29-21-37-110(135)75-91)131(149)105-69-103(70-106(73-105)132(150)146(2)127-58-54-100(123-46-10-14-62-140-123)80-119(127)96-34-18-26-88(66-96)92-30-22-38-111(136)76-92)115-42-6-5-41-114(115)85-49-51-86(52-50-85)130-143-83-109(84-144-130)117-44-8-7-43-116(117)104-71-107(133(151)147(3)128-59-55-101(124-47-11-15-63-141-124)81-120(128)97-35-19-27-89(67-97)93-31-23-39-112(137)77-93)74-108(72-104)134(152)148(4)129-60-56-102(125-48-12-16-64-142-125)82-121(129)98-36-20-28-90(68-98)94-32-24-40-113(138)78-94/h5-84H,1-4H3
InChIKeyABYQNCNHGBOSRZ-UHFFFAOYSA-N
XLogP32.06
TPSA158.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001982.27
LogP ≤ 532.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 153448908) is 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2-c2cccc(-c3cccc(F)c3)c2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5-c5cccc(-c6cccc(F)c6)c5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5-c5cccc(-c6cccc(F)c6)c5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1-c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is ABYQNCNHGBOSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H92F4N10O4/c1-145(126-57-53-99(122-45-9-13-61-139-122)79-118(126)95-33-17-25-87(65-95)91-29-21-37-110(135)75-91)131(149)105-69-103(70-106(73-105)132(150)146(2)127-58-54-100(123-46-10-14-62-140-123)80-119(127)96-34-18-26-88(66-96)92-30-22-38-111(136)76-92)115-42-6-5-41-114(115)85-49-51-86(52-50-85)130-143-83-109(84-144-130)117-44-8-7-43-116(117)104-71-107(133(151)147(3)128-59-55-101(124-47-11-15-63-141-124)81-120(128)97-35-19-27-89(67-97)93-31-23-39-112(137)77-93)74-108(72-104)134(152)148(4)129-60-56-102(125-48-12-16-64-142-125)82-121(129)98-36-20-28-90(68-98)94-32-24-40-113(138)78-94/h5-84H,1-4H3.
What are the key properties of 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 1982.27 g/mol, XLogP of 32.06, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-[2-[3,5-bis[[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-methylcarbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-bis[2-[3-(3-fluorophenyl)phenyl]-4-pyridin-2-ylphenyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 153448908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).