4,6-bis[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

C160H152F4N6 — CID 138743792

IUPAC4,6-bis[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(-c5cc(-c6ccc(-c7ccc(C(C)(C)C)cc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)C7)cc6)ncn5)cc4)C3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C160H152F4N6/c1-97-75-149(165-92-145(97)107-47-61-129(161)62-48-107)111-39-27-103(28-40-111)139-85-123(155(5,6)7)57-71-135(139)117-79-118(136-72-58-124(156(8,9)10)86-140(136)104-29-41-112(42-30-104)150-76-98(2)146(93-166-150)108-49-63-130(162)64-50-108)82-121(81-117)143-89-127(159(17,18)19)55-69-133(143)101-23-35-115(36-24-101)153-91-154(170-96-169-153)116-37-25-102(26-38-116)134-70-56-128(160(20,21)22)90-144(134)122-83-119(137-73-59-125(157(11,12)13)87-141(137)105-31-43-113(44-32-105)151-77-99(3)147(94-167-151)109-51-65-131(163)66-52-109)80-120(84-122)138-74-60-126(158(14,15)16)88-142(138)106-33-45-114(46-34-106)152-78-100(4)148(95-168-152)110-53-67-132(164)68-54-110/h23-78,85-96,117-122H,79-84H2,1-22H3
InChIKeyVXFUQZLZXZNNMM-UHFFFAOYSA-N
MW2235.01 g/mol
LogP43.97
Rot. Bonds22

About 4,6-bis[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

4,6-bis[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 138743792) has the molecular formula C160H152F4N6 and a molecular weight of 2235.01 g/mol. Its IUPAC name is 4,6-bis[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 Name4,6-bis[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 CID138743792
Molecular FormulaC160H152F4N6
Molecular Weight2235.01 g/mol
Exact Mass2233.20
IUPAC Name4,6-bis[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(-c5cc(-c6ccc(-c7ccc(C(C)(C)C)cc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)C7)cc6)ncn5)cc4)C3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C160H152F4N6/c1-97-75-149(165-92-145(97)107-47-61-129(161)62-48-107)111-39-27-103(28-40-111)139-85-123(155(5,6)7)57-71-135(139)117-79-118(136-72-58-124(156(8,9)10)86-140(136)104-29-41-112(42-30-104)150-76-98(2)146(93-166-150)108-49-63-130(162)64-50-108)82-121(81-117)143-89-127(159(17,18)19)55-69-133(143)101-23-35-115(36-24-101)153-91-154(170-96-169-153)116-37-25-102(26-38-116)134-70-56-128(160(20,21)22)90-144(134)122-83-119(137-73-59-125(157(11,12)13)87-141(137)105-31-43-113(44-32-105)151-77-99(3)147(94-167-151)109-51-65-131(163)66-52-109)80-120(84-122)138-74-60-126(158(14,15)16)88-142(138)106-33-45-114(46-34-106)152-78-100(4)148(95-168-152)110-53-67-132(164)68-54-110/h23-78,85-96,117-122H,79-84H2,1-22H3
InChIKeyVXFUQZLZXZNNMM-UHFFFAOYSA-N
XLogP43.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002235.01
LogP ≤ 543.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-bis[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 4,6-bis[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 4,6-bis[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 138743792) is 4,6-bis[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 4,6-bis[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 4,6-bis[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(-c5cc(-c6ccc(-c7ccc(C(C)(C)C)cc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)C7)cc6)ncn5)cc4)C3)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 4,6-bis[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 VXFUQZLZXZNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H152F4N6/c1-97-75-149(165-92-145(97)107-47-61-129(161)62-48-107)111-39-27-103(28-40-111)139-85-123(155(5,6)7)57-71-135(139)117-79-118(136-72-58-124(156(8,9)10)86-140(136)104-29-41-112(42-30-104)150-76-98(2)146(93-166-150)108-49-63-130(162)64-50-108)82-121(81-117)143-89-127(159(17,18)19)55-69-133(143)101-23-35-115(36-24-101)153-91-154(170-96-169-153)116-37-25-102(26-38-116)134-70-56-128(160(20,21)22)90-144(134)122-83-119(137-73-59-125(157(11,12)13)87-141(137)105-31-43-113(44-32-105)151-77-99(3)147(94-167-151)109-51-65-131(163)66-52-109)80-120(84-122)138-74-60-126(158(14,15)16)88-142(138)106-33-45-114(46-34-106)152-78-100(4)148(95-168-152)110-53-67-132(164)68-54-110/h23-78,85-96,117-122H,79-84H2,1-22H3.
What are the key properties of 4,6-bis[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?
4,6-bis[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 2235.01 g/mol, XLogP of 43.97, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[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 138743792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).