2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine

C140H148N6 — CID 138744264

IUPAC2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)C7)cc6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1
InChIInChI=1S/C140H148N6/c1-133(2,3)107-57-61-119(123(79-107)91-37-45-95(46-38-91)127-83-111(65-69-141-127)137(13,14)15)103-73-101(74-104(77-103)120-62-58-108(134(4,5)6)80-124(120)92-39-47-96(48-40-92)128-84-112(66-70-142-128)138(16,17)18)117-31-27-25-29-115(117)89-33-53-99(54-34-89)131-87-146-132(88-145-131)100-55-35-90(36-56-100)116-30-26-28-32-118(116)102-75-105(121-63-59-109(135(7,8)9)81-125(121)93-41-49-97(50-42-93)129-85-113(67-71-143-129)139(19,20)21)78-106(76-102)122-64-60-110(136(10,11)12)82-126(122)94-43-51-98(52-44-94)130-86-114(68-72-144-130)140(22,23)24/h25-72,79-88,101-106H,73-78H2,1-24H3
InChIKeyJBGCTRWHNLNNBV-UHFFFAOYSA-N
MW1914.77 g/mol
LogP38.11
Rot. Bonds18

About 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine

2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine (PubChem CID 138744264) has the molecular formula C140H148N6 and a molecular weight of 1914.77 g/mol. Its IUPAC name is 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine.

Molecular Properties

Compound Name2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
PubChem CID138744264
Molecular FormulaC140H148N6
Molecular Weight1914.77 g/mol
Exact Mass1913.18
IUPAC Name2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)C7)cc6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1
InChIInChI=1S/C140H148N6/c1-133(2,3)107-57-61-119(123(79-107)91-37-45-95(46-38-91)127-83-111(65-69-141-127)137(13,14)15)103-73-101(74-104(77-103)120-62-58-108(134(4,5)6)80-124(120)92-39-47-96(48-40-92)128-84-112(66-70-142-128)138(16,17)18)117-31-27-25-29-115(117)89-33-53-99(54-34-89)131-87-146-132(88-145-131)100-55-35-90(36-56-100)116-30-26-28-32-118(116)102-75-105(121-63-59-109(135(7,8)9)81-125(121)93-41-49-97(50-42-93)129-85-113(67-71-143-129)139(19,20)21)78-106(76-102)122-64-60-110(136(10,11)12)82-126(122)94-43-51-98(52-44-94)130-86-114(68-72-144-130)140(22,23)24/h25-72,79-88,101-106H,73-78H2,1-24H3
InChIKeyJBGCTRWHNLNNBV-UHFFFAOYSA-N
XLogP38.11
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.77
LogP ≤ 538.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine?
The IUPAC name of 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine (CID 138744264) is 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine.
What is the SMILES notation for 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine?
The canonical SMILES for 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine is CC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)C7)cc6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1.
What is the InChIKey of 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine?
The InChIKey is JBGCTRWHNLNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H148N6/c1-133(2,3)107-57-61-119(123(79-107)91-37-45-95(46-38-91)127-83-111(65-69-141-127)137(13,14)15)103-73-101(74-104(77-103)120-62-58-108(134(4,5)6)80-124(120)92-39-47-96(48-40-92)128-84-112(66-70-142-128)138(16,17)18)117-31-27-25-29-115(117)89-33-53-99(54-34-89)131-87-146-132(88-145-131)100-55-35-90(36-56-100)116-30-26-28-32-118(116)102-75-105(121-63-59-109(135(7,8)9)81-125(121)93-41-49-97(50-42-93)129-85-113(67-71-143-129)139(19,20)21)78-106(76-102)122-64-60-110(136(10,11)12)82-126(122)94-43-51-98(52-44-94)130-86-114(68-72-144-130)140(22,23)24/h25-72,79-88,101-106H,73-78H2,1-24H3.
What are the key properties of 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine?
2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine has a molecular weight of 1914.77 g/mol, XLogP of 38.11, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine is sourced from PubChem (CID 138744264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).