2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine

C145H119N15O3 — CID 139429232

IUPAC2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine
SMILESCOc1cc(-c2ccc(-c3ccccc3-c3cc(CCc4ccc(-n5cccn5)cc4)cc(CCc4ccc(-n5cc(Cc6ccc(-c7ccc(-c8ccccc8-c8cc(CCc9ccc(-n%10cccn%10)cc9)cc(CCc9ccc(-n%10cccn%10)cc9)c8)c(OC)c7)nc6)cn5)cc4)c3)cc2)ncc1-c1cnn(-c2ccc(CCc3cc(CCc4ccc(-n5cccn5)cc4)cc(-c4ccccc4-c4cnc(-c5cccc(-c6ccccc6)c5)cc4OC)c3)cc2)c1
InChIInChI=1S/C145H119N15O3/c1-161-143-91-120(57-70-137(143)135-26-11-9-24-133(135)122-86-109(36-29-102-42-60-126(61-43-102)156-77-15-73-150-156)81-110(87-122)37-30-103-44-62-127(63-45-103)157-78-16-74-151-157)140-71-52-113(94-146-140)83-114-95-153-159(99-114)129-66-48-105(49-67-129)32-35-108-80-107(34-28-101-40-58-125(59-41-101)155-76-14-72-149-155)84-121(85-108)132-23-8-7-22-131(132)116-53-55-117(56-54-116)141-92-144(162-2)138(97-147-141)124-96-154-160(100-124)130-68-50-106(51-69-130)33-39-112-82-111(38-31-104-46-64-128(65-47-104)158-79-17-75-152-158)88-123(89-112)134-25-10-12-27-136(134)139-98-148-142(93-145(139)163-3)119-21-13-20-118(90-119)115-18-5-4-6-19-115/h4-27,40-82,84-100H,28-39,83H2,1-3H3
InChIKeyFPLCQFLSRYZPCK-UHFFFAOYSA-N
MW2119.65 g/mol
LogP31.65
Rot. Bonds40

About 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine

2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine (PubChem CID 139429232) has the molecular formula C145H119N15O3 and a molecular weight of 2119.65 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine
PubChem CID139429232
Molecular FormulaC145H119N15O3
Molecular Weight2119.65 g/mol
Exact Mass2117.96
IUPAC Name2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine
SMILESCOc1cc(-c2ccc(-c3ccccc3-c3cc(CCc4ccc(-n5cccn5)cc4)cc(CCc4ccc(-n5cc(Cc6ccc(-c7ccc(-c8ccccc8-c8cc(CCc9ccc(-n%10cccn%10)cc9)cc(CCc9ccc(-n%10cccn%10)cc9)c8)c(OC)c7)nc6)cn5)cc4)c3)cc2)ncc1-c1cnn(-c2ccc(CCc3cc(CCc4ccc(-n5cccn5)cc4)cc(-c4ccccc4-c4cnc(-c5cccc(-c6ccccc6)c5)cc4OC)c3)cc2)c1
InChIInChI=1S/C145H119N15O3/c1-161-143-91-120(57-70-137(143)135-26-11-9-24-133(135)122-86-109(36-29-102-42-60-126(61-43-102)156-77-15-73-150-156)81-110(87-122)37-30-103-44-62-127(63-45-103)157-78-16-74-151-157)140-71-52-113(94-146-140)83-114-95-153-159(99-114)129-66-48-105(49-67-129)32-35-108-80-107(34-28-101-40-58-125(59-41-101)155-76-14-72-149-155)84-121(85-108)132-23-8-7-22-131(132)116-53-55-117(56-54-116)141-92-144(162-2)138(97-147-141)124-96-154-160(100-124)130-68-50-106(51-69-130)33-39-112-82-111(38-31-104-46-64-128(65-47-104)158-79-17-75-152-158)88-123(89-112)134-25-10-12-27-136(134)139-98-148-142(93-145(139)163-3)119-21-13-20-118(90-119)115-18-5-4-6-19-115/h4-27,40-82,84-100H,28-39,83H2,1-3H3
InChIKeyFPLCQFLSRYZPCK-UHFFFAOYSA-N
XLogP31.65
TPSA173.28 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.65
LogP ≤ 531.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine?
The IUPAC name of 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine (CID 139429232) is 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine?
The canonical SMILES for 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine is COc1cc(-c2ccc(-c3ccccc3-c3cc(CCc4ccc(-n5cccn5)cc4)cc(CCc4ccc(-n5cc(Cc6ccc(-c7ccc(-c8ccccc8-c8cc(CCc9ccc(-n%10cccn%10)cc9)cc(CCc9ccc(-n%10cccn%10)cc9)c8)c(OC)c7)nc6)cn5)cc4)c3)cc2)ncc1-c1cnn(-c2ccc(CCc3cc(CCc4ccc(-n5cccn5)cc4)cc(-c4ccccc4-c4cnc(-c5cccc(-c6ccccc6)c5)cc4OC)c3)cc2)c1.
What is the InChIKey of 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine?
The InChIKey is FPLCQFLSRYZPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H119N15O3/c1-161-143-91-120(57-70-137(143)135-26-11-9-24-133(135)122-86-109(36-29-102-42-60-126(61-43-102)156-77-15-73-150-156)81-110(87-122)37-30-103-44-62-127(63-45-103)157-78-16-74-151-157)140-71-52-113(94-146-140)83-114-95-153-159(99-114)129-66-48-105(49-67-129)32-35-108-80-107(34-28-101-40-58-125(59-41-101)155-76-14-72-149-155)84-121(85-108)132-23-8-7-22-131(132)116-53-55-117(56-54-116)141-92-144(162-2)138(97-147-141)124-96-154-160(100-124)130-68-50-106(51-69-130)33-39-112-82-111(38-31-104-46-64-128(65-47-104)158-79-17-75-152-158)88-123(89-112)134-25-10-12-27-136(134)139-98-148-142(93-145(139)163-3)119-21-13-20-118(90-119)115-18-5-4-6-19-115/h4-27,40-82,84-100H,28-39,83H2,1-3H3.
What are the key properties of 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine?
2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine has a molecular weight of 2119.65 g/mol, XLogP of 31.65, 40 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 139429232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).