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

C154H148F4N6 — CID 134434241

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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
SMILESCc1cc(-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)ncc1-c1ccc(F)cc1
InChIInChI=1S/C154H148F4N6/c1-93-71-144(159-89-140(93)102-43-57-124(155)58-44-102)106-33-23-98(24-34-106)134-81-118(149(5,6)7)52-66-129(134)111-75-112(130-67-53-119(150(8,9)10)82-135(130)99-25-35-107(36-26-99)145-72-94(2)141(90-160-145)103-45-59-125(156)60-46-103)78-115(77-111)138-85-122(153(17,18)19)51-65-128(138)97-31-41-110(42-32-97)148-163-87-117(88-164-148)133-70-56-123(154(20,21)22)86-139(133)116-79-113(131-68-54-120(151(11,12)13)83-136(131)100-27-37-108(38-28-100)146-73-95(3)142(91-161-146)104-47-61-126(157)62-48-104)76-114(80-116)132-69-55-121(152(14,15)16)84-137(132)101-29-39-109(40-30-101)147-74-96(4)143(92-162-147)105-49-63-127(158)64-50-105/h23-74,81-92,111-116H,75-80H2,1-22H3
InChIKeyBKLDIXWQDZPXBX-UHFFFAOYSA-N
MW2158.91 g/mol
LogP42.31
Rot. Bonds21

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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine (PubChem CID 134434241) has the molecular formula C154H148F4N6 and a molecular weight of 2158.91 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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
PubChem CID134434241
Molecular FormulaC154H148F4N6
Molecular Weight2158.91 g/mol
Exact Mass2157.17
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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
SMILESCc1cc(-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)ncc1-c1ccc(F)cc1
InChIInChI=1S/C154H148F4N6/c1-93-71-144(159-89-140(93)102-43-57-124(155)58-44-102)106-33-23-98(24-34-106)134-81-118(149(5,6)7)52-66-129(134)111-75-112(130-67-53-119(150(8,9)10)82-135(130)99-25-35-107(36-26-99)145-72-94(2)141(90-160-145)103-45-59-125(156)60-46-103)78-115(77-111)138-85-122(153(17,18)19)51-65-128(138)97-31-41-110(42-32-97)148-163-87-117(88-164-148)133-70-56-123(154(20,21)22)86-139(133)116-79-113(131-68-54-120(151(11,12)13)83-136(131)100-27-37-108(38-28-100)146-73-95(3)142(91-161-146)104-47-61-126(157)62-48-104)76-114(80-116)132-69-55-121(152(14,15)16)84-137(132)101-29-39-109(40-30-101)147-74-96(4)143(92-162-147)105-49-63-127(158)64-50-105/h23-74,81-92,111-116H,75-80H2,1-22H3
InChIKeyBKLDIXWQDZPXBX-UHFFFAOYSA-N
XLogP42.31
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002158.91
LogP ≤ 542.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine (CID 134434241) 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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine is Cc1cc(-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)ncc1-c1ccc(F)cc1.
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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine?
The InChIKey is BKLDIXWQDZPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H148F4N6/c1-93-71-144(159-89-140(93)102-43-57-124(155)58-44-102)106-33-23-98(24-34-106)134-81-118(149(5,6)7)52-66-129(134)111-75-112(130-67-53-119(150(8,9)10)82-135(130)99-25-35-107(36-26-99)145-72-94(2)141(90-160-145)103-45-59-125(156)60-46-103)78-115(77-111)138-85-122(153(17,18)19)51-65-128(138)97-31-41-110(42-32-97)148-163-87-117(88-164-148)133-70-56-123(154(20,21)22)86-139(133)116-79-113(131-68-54-120(151(11,12)13)83-136(131)100-27-37-108(38-28-100)146-73-95(3)142(91-161-146)104-47-61-126(157)62-48-104)76-114(80-116)132-69-55-121(152(14,15)16)84-137(132)101-29-39-109(40-30-101)147-74-96(4)143(92-162-147)105-49-63-127(158)64-50-105/h23-74,81-92,111-116H,75-80H2,1-22H3.
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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine has a molecular weight of 2158.91 g/mol, XLogP of 42.31, 21 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-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine is sourced from PubChem (CID 134434241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).