1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene

C184H196N2O6 — CID 71662814

IUPAC1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene
SMILESC(C#Cc1ccc(OCCCCCCC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1)#Cc1ccc(OCCCCCCC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1.c1cc2cc(c1)OCCCCCCCCOc1ccc(cc1)-c1ccc3ccc4ccc(nc4c3n1)-c1ccc(cc1)OCCCCCCCCO2
InChIInChI=1S/C138H146O2.C46H50N2O4/c1(25-99-137(129-83-71-123(72-84-129)117-59-47-111(48-60-117)105-31-11-5-12-32-105,130-85-73-124(74-86-130)118-61-49-112(50-62-118)106-33-13-6-14-34-106)131-87-75-125(76-88-131)119-63-51-113(52-64-119)107-35-15-7-16-36-107)3-27-101-139-135-95-43-103(44-96-135)29-23-24-30-104-45-97-136(98-46-104)140-102-28-4-2-26-100-138(132-89-77-126(78-90-132)120-65-53-114(54-66-120)108-37-17-8-18-38-108,133-91-79-127(80-92-133)121-67-55-115(56-68-121)109-39-19-9-20-40-109)134-93-81-128(82-94-134)122-69-57-116(58-70-122)110-41-21-10-22-42-110;1-3-7-11-32-51-41-14-13-15-42(34-41)52-33-12-8-4-2-6-10-31-50-40-26-20-36(21-27-40)44-29-23-38-17-16-37-22-28-43(47-45(37)46(38)48-44)35-18-24-39(25-19-35)49-30-9-5-1/h43-98,105-110H,1-22,25-28,31-42,99-102H2;13-29,34H,1-12,30-33H2
InChIKeyDGYJQXKKYXMRPC-UHFFFAOYSA-N
MW2531.60 g/mol
LogP50.13
Rot. Bonds34

About 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene

1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene (PubChem CID 71662814) has the molecular formula C184H196N2O6 and a molecular weight of 2531.60 g/mol. Its IUPAC name is 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene.

Molecular Properties

Compound Name1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene
PubChem CID71662814
Molecular FormulaC184H196N2O6
Molecular Weight2531.60 g/mol
Exact Mass2529.51
IUPAC Name1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene
SMILESC(C#Cc1ccc(OCCCCCCC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1)#Cc1ccc(OCCCCCCC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1.c1cc2cc(c1)OCCCCCCCCOc1ccc(cc1)-c1ccc3ccc4ccc(nc4c3n1)-c1ccc(cc1)OCCCCCCCCO2
InChIInChI=1S/C138H146O2.C46H50N2O4/c1(25-99-137(129-83-71-123(72-84-129)117-59-47-111(48-60-117)105-31-11-5-12-32-105,130-85-73-124(74-86-130)118-61-49-112(50-62-118)106-33-13-6-14-34-106)131-87-75-125(76-88-131)119-63-51-113(52-64-119)107-35-15-7-16-36-107)3-27-101-139-135-95-43-103(44-96-135)29-23-24-30-104-45-97-136(98-46-104)140-102-28-4-2-26-100-138(132-89-77-126(78-90-132)120-65-53-114(54-66-120)108-37-17-8-18-38-108,133-91-79-127(80-92-133)121-67-55-115(56-68-121)109-39-19-9-20-40-109)134-93-81-128(82-94-134)122-69-57-116(58-70-122)110-41-21-10-22-42-110;1-3-7-11-32-51-41-14-13-15-42(34-41)52-33-12-8-4-2-6-10-31-50-40-26-20-36(21-27-40)44-29-23-38-17-16-37-22-28-43(47-45(37)46(38)48-44)35-18-24-39(25-19-35)49-30-9-5-1/h43-98,105-110H,1-22,25-28,31-42,99-102H2;13-29,34H,1-12,30-33H2
InChIKeyDGYJQXKKYXMRPC-UHFFFAOYSA-N
XLogP50.13
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002531.60
LogP ≤ 550.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene with MolForge

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Related Compounds

1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-(4-ethynylphenoxy)heptyl]-4-(4-cyclohexylphenyl)benzene
CID 71662448
iodocopper;6,13,19,26-tetraoxa-40,43-diazaheptacyclo[29.8.4.22,5.227,30.114,18.034,42.037,41]octatetraconta-1(40),2(48),3,5(47),14(46),15,17,27(45),28,30(44),31(43),32,34(42),35,37(41),38-hexadecaene
CID 11988469
1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole
CID 177497983
6,9,14,21-tetraoxa-35,38-diazaheptacyclo[24.8.4.22,5.210,13.222,25.029,37.032,36]tetratetraconta-1(35),2(44),3,5(43),10,12,22(40),23,25(39),26(38),27,29(37),30,32(36),33,41-hexadecaene
CID 164740707
1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-[4-[9-[4-(4-hydroxybutoxy)phenyl]-1,10-phenanthrolin-2-yl]phenoxy]butan-1-ol
CID 100930714
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
2-(4-cyclohexylphenyl)-5-octoxypyrimidine
CID 54232091
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene?
The IUPAC name of 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene (CID 71662814) is 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene.
What is the SMILES notation for 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene?
The canonical SMILES for 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene is C(C#Cc1ccc(OCCCCCCC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1)#Cc1ccc(OCCCCCCC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1.c1cc2cc(c1)OCCCCCCCCOc1ccc(cc1)-c1ccc3ccc4ccc(nc4c3n1)-c1ccc(cc1)OCCCCCCCCO2.
What is the InChIKey of 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene?
The InChIKey is DGYJQXKKYXMRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H146O2.C46H50N2O4/c1(25-99-137(129-83-71-123(72-84-129)117-59-47-111(48-60-117)105-31-11-5-12-32-105,130-85-73-124(74-86-130)118-61-49-112(50-62-118)106-33-13-6-14-34-106)131-87-75-125(76-88-131)119-63-51-113(52-64-119)107-35-15-7-16-36-107)3-27-101-139-135-95-43-103(44-96-135)29-23-24-30-104-45-97-136(98-46-104)140-102-28-4-2-26-100-138(132-89-77-126(78-90-132)120-65-53-114(54-66-120)108-37-17-8-18-38-108,133-91-79-127(80-92-133)121-67-55-115(56-68-121)109-39-19-9-20-40-109)134-93-81-128(82-94-134)122-69-57-116(58-70-122)110-41-21-10-22-42-110;1-3-7-11-32-51-41-14-13-15-42(34-41)52-33-12-8-4-2-6-10-31-50-40-26-20-36(21-27-40)44-29-23-38-17-16-37-22-28-43(47-45(37)46(38)48-44)35-18-24-39(25-19-35)49-30-9-5-1/h43-98,105-110H,1-22,25-28,31-42,99-102H2;13-29,34H,1-12,30-33H2.
What are the key properties of 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene?
1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene has a molecular weight of 2531.60 g/mol, XLogP of 50.13, 34 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis[4-(4-cyclohexylphenyl)phenyl]-7-[4-[4-[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]buta-1,3-diynyl]phenoxy]heptyl]-4-(4-cyclohexylphenyl)benzene;6,15,21,30-tetraoxa-44,47-diazaheptacyclo[33.8.4.22,5.231,34.116,20.038,46.041,45]dopentaconta-1(44),2(52),3,5(51),16(50),17,19,31(49),32,34(48),35(47),36,38(46),39,41(45),42-hexadecaene is sourced from PubChem (CID 71662814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).