5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine

C155H152F4N6 — CID 146649208

IUPAC5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
SMILESC=C/C=C(F)\C=C/Cc1cnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)CC(c4cc(C(C)(C)C)ccc4-c4ccc(-c5ncc(-c6ccc(C(C)(C)C)cc6C6CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)C6)cn5)cc4)C3)cc2)cc1C
InChIInChI=1S/C155H152F4N6/c1-24-26-126(156)28-25-27-112-89-160-145(73-95(112)2)107-39-29-100(30-40-107)136-83-120(150(6,7)8)56-68-131(136)113-77-114(132-69-57-121(151(9,10)11)84-137(132)101-31-41-108(42-32-101)146-74-96(3)142(92-161-146)104-49-61-127(157)62-50-104)80-117(79-113)140-87-124(154(18,19)20)55-67-130(140)99-37-47-111(48-38-99)149-164-90-119(91-165-149)135-72-60-125(155(21,22)23)88-141(135)118-81-115(133-70-58-122(152(12,13)14)85-138(133)102-33-43-109(44-34-102)147-75-97(4)143(93-162-147)105-51-63-128(158)64-52-105)78-116(82-118)134-71-59-123(153(15,16)17)86-139(134)103-35-45-110(46-36-103)148-76-98(5)144(94-163-148)106-53-65-129(159)66-54-106/h24-26,28-76,83-94,113-118H,1,27,77-82H2,2-23H3/b28-25-,126-26+
InChIKeyOOQJEGDQBXEZFF-SEZGRPTISA-N
MW2174.95 g/mol
LogP42.64
Rot. Bonds24

About 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine

5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine (PubChem CID 146649208) has the molecular formula C155H152F4N6 and a molecular weight of 2174.95 g/mol. Its IUPAC name is 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
PubChem CID146649208
Molecular FormulaC155H152F4N6
Molecular Weight2174.95 g/mol
Exact Mass2173.20
IUPAC Name5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
SMILESC=C/C=C(F)\C=C/Cc1cnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)CC(c4cc(C(C)(C)C)ccc4-c4ccc(-c5ncc(-c6ccc(C(C)(C)C)cc6C6CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)C6)cn5)cc4)C3)cc2)cc1C
InChIInChI=1S/C155H152F4N6/c1-24-26-126(156)28-25-27-112-89-160-145(73-95(112)2)107-39-29-100(30-40-107)136-83-120(150(6,7)8)56-68-131(136)113-77-114(132-69-57-121(151(9,10)11)84-137(132)101-31-41-108(42-32-101)146-74-96(3)142(92-161-146)104-49-61-127(157)62-50-104)80-117(79-113)140-87-124(154(18,19)20)55-67-130(140)99-37-47-111(48-38-99)149-164-90-119(91-165-149)135-72-60-125(155(21,22)23)88-141(135)118-81-115(133-70-58-122(152(12,13)14)85-138(133)102-33-43-109(44-34-102)147-75-97(4)143(93-162-147)105-51-63-128(158)64-52-105)78-116(82-118)134-71-59-123(153(15,16)17)86-139(134)103-35-45-110(46-36-103)148-76-98(5)144(94-163-148)106-53-65-129(159)66-54-106/h24-26,28-76,83-94,113-118H,1,27,77-82H2,2-23H3/b28-25-,126-26+
InChIKeyOOQJEGDQBXEZFF-SEZGRPTISA-N
XLogP42.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002174.95
LogP ≤ 542.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine (CID 146649208) is 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine is C=C/C=C(F)\C=C/Cc1cnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)CC(c4cc(C(C)(C)C)ccc4-c4ccc(-c5ncc(-c6ccc(C(C)(C)C)cc6C6CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)C6)cn5)cc4)C3)cc2)cc1C.
What is the InChIKey of 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
The InChIKey is OOQJEGDQBXEZFF-SEZGRPTISA-N. The full InChI is InChI=1S/C155H152F4N6/c1-24-26-126(156)28-25-27-112-89-160-145(73-95(112)2)107-39-29-100(30-40-107)136-83-120(150(6,7)8)56-68-131(136)113-77-114(132-69-57-121(151(9,10)11)84-137(132)101-31-41-108(42-32-101)146-74-96(3)142(92-161-146)104-49-61-127(157)62-50-104)80-117(79-113)140-87-124(154(18,19)20)55-67-130(140)99-37-47-111(48-38-99)149-164-90-119(91-165-149)135-72-60-125(155(21,22)23)88-141(135)118-81-115(133-70-58-122(152(12,13)14)85-138(133)102-33-43-109(44-34-102)147-75-97(4)143(93-162-147)105-51-63-128(158)64-52-105)78-116(82-118)134-71-59-123(153(15,16)17)86-139(134)103-35-45-110(46-36-103)148-76-98(5)144(94-163-148)106-53-65-129(159)66-54-106/h24-26,28-76,83-94,113-118H,1,27,77-82H2,2-23H3/b28-25-,126-26+.
What are the key properties of 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine has a molecular weight of 2174.95 g/mol, XLogP of 42.64, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 146649208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).