2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline

C168H135N9O3 — CID 139429372

IUPAC2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline
SMILESCOc1cc(-c2ccc3cc(-c4cc(-c5ccc(CCc6cc(CCc7ccc(-c8ccc(C)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(-c9ccccc9)c9ccccc9n8)cc7OC)c6)cc5)ncc4C)ccc3n2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3cc(-c4ccc(-c5cc(OC)c(-c6ccccc6-c6cc(CCc7cnc(-c8ccccc8)cc7C)cc(CCc7cnc(-c8ccccc8)cc7C)c6)cn5)cc4)ccn3)cc2)c1
InChIInChI=1S/C168H135N9O3/c1-110-42-81-156(171-105-110)129-63-53-115(54-64-129)44-48-119-90-121(95-141(93-119)144-34-18-21-37-147(144)151-80-76-137(101-167(151)179-6)165-103-153(125-27-11-8-12-28-125)149-39-23-24-41-159(149)177-165)50-46-117-57-67-131(68-58-117)163-102-152(113(4)106-172-163)134-77-82-157-135(98-134)78-83-158(176-157)136-75-79-150(166(100-136)178-5)146-36-20-17-33-143(146)140-92-118(47-43-114-51-61-128(62-52-114)155-40-25-26-85-169-155)89-120(94-140)49-45-116-55-65-130(66-56-116)162-99-133(84-86-170-162)124-71-73-132(74-72-124)164-104-168(180-7)154(109-175-164)148-38-22-19-35-145(148)142-96-122(59-69-138-107-173-160(87-111(138)2)126-29-13-9-14-30-126)91-123(97-142)60-70-139-108-174-161(88-112(139)3)127-31-15-10-16-32-127/h8-42,51-58,61-68,71-109H,43-50,59-60,69-70H2,1-7H3
InChIKeyZMOSDTMLSCYNAY-UHFFFAOYSA-N
MW2327.99 g/mol
LogP40.52
Rot. Bonds39

About 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline

2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline (PubChem CID 139429372) has the molecular formula C168H135N9O3 and a molecular weight of 2327.99 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline
PubChem CID139429372
Molecular FormulaC168H135N9O3
Molecular Weight2327.99 g/mol
Exact Mass2326.07
IUPAC Name2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline
SMILESCOc1cc(-c2ccc3cc(-c4cc(-c5ccc(CCc6cc(CCc7ccc(-c8ccc(C)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(-c9ccccc9)c9ccccc9n8)cc7OC)c6)cc5)ncc4C)ccc3n2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3cc(-c4ccc(-c5cc(OC)c(-c6ccccc6-c6cc(CCc7cnc(-c8ccccc8)cc7C)cc(CCc7cnc(-c8ccccc8)cc7C)c6)cn5)cc4)ccn3)cc2)c1
InChIInChI=1S/C168H135N9O3/c1-110-42-81-156(171-105-110)129-63-53-115(54-64-129)44-48-119-90-121(95-141(93-119)144-34-18-21-37-147(144)151-80-76-137(101-167(151)179-6)165-103-153(125-27-11-8-12-28-125)149-39-23-24-41-159(149)177-165)50-46-117-57-67-131(68-58-117)163-102-152(113(4)106-172-163)134-77-82-157-135(98-134)78-83-158(176-157)136-75-79-150(166(100-136)178-5)146-36-20-17-33-143(146)140-92-118(47-43-114-51-61-128(62-52-114)155-40-25-26-85-169-155)89-120(94-140)49-45-116-55-65-130(66-56-116)162-99-133(84-86-170-162)124-71-73-132(74-72-124)164-104-168(180-7)154(109-175-164)148-38-22-19-35-145(148)142-96-122(59-69-138-107-173-160(87-111(138)2)126-29-13-9-14-30-126)91-123(97-142)60-70-139-108-174-161(88-112(139)3)127-31-15-10-16-32-127/h8-42,51-58,61-68,71-109H,43-50,59-60,69-70H2,1-7H3
InChIKeyZMOSDTMLSCYNAY-UHFFFAOYSA-N
XLogP40.52
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.99
LogP ≤ 540.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline?
The IUPAC name of 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline (CID 139429372) is 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline.
What is the SMILES notation for 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline?
The canonical SMILES for 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline is COc1cc(-c2ccc3cc(-c4cc(-c5ccc(CCc6cc(CCc7ccc(-c8ccc(C)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(-c9ccccc9)c9ccccc9n8)cc7OC)c6)cc5)ncc4C)ccc3n2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3cc(-c4ccc(-c5cc(OC)c(-c6ccccc6-c6cc(CCc7cnc(-c8ccccc8)cc7C)cc(CCc7cnc(-c8ccccc8)cc7C)c6)cn5)cc4)ccn3)cc2)c1.
What is the InChIKey of 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline?
The InChIKey is ZMOSDTMLSCYNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H135N9O3/c1-110-42-81-156(171-105-110)129-63-53-115(54-64-129)44-48-119-90-121(95-141(93-119)144-34-18-21-37-147(144)151-80-76-137(101-167(151)179-6)165-103-153(125-27-11-8-12-28-125)149-39-23-24-41-159(149)177-165)50-46-117-57-67-131(68-58-117)163-102-152(113(4)106-172-163)134-77-82-157-135(98-134)78-83-158(176-157)136-75-79-150(166(100-136)178-5)146-36-20-17-33-143(146)140-92-118(47-43-114-51-61-128(62-52-114)155-40-25-26-85-169-155)89-120(94-140)49-45-116-55-65-130(66-56-116)162-99-133(84-86-170-162)124-71-73-132(74-72-124)164-104-168(180-7)154(109-175-164)148-38-22-19-35-145(148)142-96-122(59-69-138-107-173-160(87-111(138)2)126-29-13-9-14-30-126)91-123(97-142)60-70-139-108-174-161(88-112(139)3)127-31-15-10-16-32-127/h8-42,51-58,61-68,71-109H,43-50,59-60,69-70H2,1-7H3.
What are the key properties of 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline?
2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline has a molecular weight of 2327.99 g/mol, XLogP of 40.52, 39 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline is sourced from PubChem (CID 139429372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).