4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline

C150H126N6O6 — CID 102343653

IUPAC4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(/C=C/c3cc4c5cc(/C=C/c6ccc([N+](=O)[O-])cc6)cc6c7cc(/C=C/c8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)cc8)cc8c9cc(/C=C/c%10ccc([N+](=O)[O-])cc%10)cc%10c%11cc(/C=C/c%12ccc(N(c%13ccc(C(C)(C)C)cc%13)c%13ccc(C(C)(C)C)cc%13)cc%12)cc%12c%13cc(/C=C/c%14ccc([N+](=O)[O-])cc%14)cc%14c(c3)c4c3c(c56)c(c78)c(c9%10)c(c%12%11)c3c%14%13)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C150H126N6O6/c1-145(2,3)103-43-67-112(68-44-103)151(113-69-45-104(46-70-113)146(4,5)6)109-55-31-91(32-56-109)19-25-97-79-121-127-85-100(28-22-94-37-61-118(62-38-94)154(157)158)87-129-123-81-98(26-20-92-33-57-110(58-34-92)152(114-71-47-105(48-72-114)147(7,8)9)115-73-49-106(50-74-115)148(10,11)12)83-125-131-89-102(30-24-96-41-65-120(66-42-96)156(161)162)90-132-126-84-99(27-21-93-35-59-111(60-36-93)153(116-75-51-107(52-76-116)149(13,14)15)117-77-53-108(54-78-117)150(16,17)18)82-124-130-88-101(29-23-95-39-63-119(64-40-95)155(159)160)86-128-122(80-97)133(121)139-142(136(127)129)140(134(123)125)144(138(131)132)141(135(124)126)143(139)137(128)130/h19-90H,1-18H3/b25-19+,26-20+,27-21+,28-22+,29-23+,30-24+
InChIKeyASNJFRNNMAHKTK-LQURRZMYSA-N
MW2108.69 g/mol
LogP43.09
Rot. Bonds24

About 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline

4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline (PubChem CID 102343653) has the molecular formula C150H126N6O6 and a molecular weight of 2108.69 g/mol. Its IUPAC name is 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
PubChem CID102343653
Molecular FormulaC150H126N6O6
Molecular Weight2108.69 g/mol
Exact Mass2106.97
IUPAC Name4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(/C=C/c3cc4c5cc(/C=C/c6ccc([N+](=O)[O-])cc6)cc6c7cc(/C=C/c8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)cc8)cc8c9cc(/C=C/c%10ccc([N+](=O)[O-])cc%10)cc%10c%11cc(/C=C/c%12ccc(N(c%13ccc(C(C)(C)C)cc%13)c%13ccc(C(C)(C)C)cc%13)cc%12)cc%12c%13cc(/C=C/c%14ccc([N+](=O)[O-])cc%14)cc%14c(c3)c4c3c(c56)c(c78)c(c9%10)c(c%12%11)c3c%14%13)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C150H126N6O6/c1-145(2,3)103-43-67-112(68-44-103)151(113-69-45-104(46-70-113)146(4,5)6)109-55-31-91(32-56-109)19-25-97-79-121-127-85-100(28-22-94-37-61-118(62-38-94)154(157)158)87-129-123-81-98(26-20-92-33-57-110(58-34-92)152(114-71-47-105(48-72-114)147(7,8)9)115-73-49-106(50-74-115)148(10,11)12)83-125-131-89-102(30-24-96-41-65-120(66-42-96)156(161)162)90-132-126-84-99(27-21-93-35-59-111(60-36-93)153(116-75-51-107(52-76-116)149(13,14)15)117-77-53-108(54-78-117)150(16,17)18)82-124-130-88-101(29-23-95-39-63-119(64-40-95)155(159)160)86-128-122(80-97)133(121)139-142(136(127)129)140(134(123)125)144(138(131)132)141(135(124)126)143(139)137(128)130/h19-90H,1-18H3/b25-19+,26-20+,27-21+,28-22+,29-23+,30-24+
InChIKeyASNJFRNNMAHKTK-LQURRZMYSA-N
XLogP43.09
TPSA139.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002108.69
LogP ≤ 543.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline with MolForge

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Related Compounds

N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
4-[(E)-2-[6-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-9,10-diphenylphenanthren-3-yl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 88888080
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline
CID 59838914
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 135225812
N-butyl-N-ethyl-4-[2-(4-nitrophenyl)ethenyl]aniline
CID 67941461
N'-ethyl-N'-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethane-1,2-diamine
CID 90277351
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
6,15,33-tritert-butyl-24-[(E)-2-(4-nitrophenyl)ethenyl]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 136794670

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The IUPAC name of 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline (CID 102343653) is 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(/C=C/c3cc4c5cc(/C=C/c6ccc([N+](=O)[O-])cc6)cc6c7cc(/C=C/c8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)cc8)cc8c9cc(/C=C/c%10ccc([N+](=O)[O-])cc%10)cc%10c%11cc(/C=C/c%12ccc(N(c%13ccc(C(C)(C)C)cc%13)c%13ccc(C(C)(C)C)cc%13)cc%12)cc%12c%13cc(/C=C/c%14ccc([N+](=O)[O-])cc%14)cc%14c(c3)c4c3c(c56)c(c78)c(c9%10)c(c%12%11)c3c%14%13)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The InChIKey is ASNJFRNNMAHKTK-LQURRZMYSA-N. The full InChI is InChI=1S/C150H126N6O6/c1-145(2,3)103-43-67-112(68-44-103)151(113-69-45-104(46-70-113)146(4,5)6)109-55-31-91(32-56-109)19-25-97-79-121-127-85-100(28-22-94-37-61-118(62-38-94)154(157)158)87-129-123-81-98(26-20-92-33-57-110(58-34-92)152(114-71-47-105(48-72-114)147(7,8)9)115-73-49-106(50-74-115)148(10,11)12)83-125-131-89-102(30-24-96-41-65-120(66-42-96)156(161)162)90-132-126-84-99(27-21-93-35-59-111(60-36-93)153(116-75-51-107(52-76-116)149(13,14)15)117-77-53-108(54-78-117)150(16,17)18)82-124-130-88-101(29-23-95-39-63-119(64-40-95)155(159)160)86-128-122(80-97)133(121)139-142(136(127)129)140(134(123)125)144(138(131)132)141(135(124)126)143(139)137(128)130/h19-90H,1-18H3/b25-19+,26-20+,27-21+,28-22+,29-23+,30-24+.
What are the key properties of 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline has a molecular weight of 2108.69 g/mol, XLogP of 43.09, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[20,34-bis[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-11,25,39-tris[(E)-2-(4-nitrophenyl)ethenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline is sourced from PubChem (CID 102343653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).