2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine

C182H172N18O4 — CID 159148984

IUPAC2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
SMILESCC(C)(C)c1cccc(/C=N/c2ccc(C(c3ccc(/N=C/c4cccc(C(C)(C)C)c4O)cc3)c3ccc(C(c4ccc(/N=C/c5cccc(C(C)(C)C)c5O)cc4)c4ccc(/N=C/c5cccc(C(C)(C)C)c5O)cc4)cc3)cc2)c1O.CC1=CC=C(/C=N/c2ccc(-c3cc(-c4ccc(/N=C/c5ccc(C)[nH]5)cc4)c(-c4ccc(/N=C/c5ccc(C)[nH]5)cc4)cc3-c3ccc(/N=C/c4ccc(C)[nH]4)cc3)cc2)C1.CC1=CC=C(/C=N/c2ccc(C(c3ccc(/N=C/c4ccc(C)[nH]4)cc3)C(c3ccc(/N=C/c4ccc(C)[nH]4)cc3)c3ccc(/N=C/c4ccc(C)[nH]4)cc3)cc2)C1
InChIInChI=1S/C76H78N4O4.C55H47N7.C51H47N7/c1-73(2,3)63-21-13-17-55(69(63)81)45-77-59-37-29-51(30-38-59)67(52-31-39-60(40-32-52)78-46-56-18-14-22-64(70(56)82)74(4,5)6)49-25-27-50(28-26-49)68(53-33-41-61(42-34-53)79-47-57-19-15-23-65(71(57)83)75(7,8)9)54-35-43-62(44-36-54)80-48-58-20-16-24-66(72(58)84)76(10,11)12;1-36-5-9-40(29-36)32-56-45-21-10-41(11-22-45)52-30-54(43-14-25-47(26-15-43)58-34-50-19-7-38(3)61-50)55(44-16-27-48(28-17-44)59-35-51-20-8-39(4)62-51)31-53(52)42-12-23-46(24-13-42)57-33-49-18-6-37(2)60-49;1-34-5-9-38(29-34)30-52-43-21-10-39(11-22-43)50(40-12-23-44(24-13-40)53-31-47-18-6-35(2)56-47)51(41-14-25-45(26-15-41)54-32-48-19-7-36(3)57-48)42-16-27-46(28-17-42)55-33-49-20-8-37(4)58-49/h13-48,67-68,81-84H,1-12H3;5-28,30-35,60-62H,29H2,1-4H3;5-28,30-33,50-51,56-58H,29H2,1-4H3/b77-45+,78-46+,79-47+,80-48+;56-32+,57-33+,58-34+,59-35+;52-30+,53-31+,54-32+,55-33+
InChIKeyKJARSXHBJHUARW-ZEWCNNBWSA-N
MW2675.50 g/mol
LogP46.35
Rot. Bonds39

About 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine

2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine (PubChem CID 159148984) has the molecular formula C182H172N18O4 and a molecular weight of 2675.50 g/mol. Its IUPAC name is 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
PubChem CID159148984
Molecular FormulaC182H172N18O4
Molecular Weight2675.50 g/mol
Exact Mass2673.38
IUPAC Name2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
SMILESCC(C)(C)c1cccc(/C=N/c2ccc(C(c3ccc(/N=C/c4cccc(C(C)(C)C)c4O)cc3)c3ccc(C(c4ccc(/N=C/c5cccc(C(C)(C)C)c5O)cc4)c4ccc(/N=C/c5cccc(C(C)(C)C)c5O)cc4)cc3)cc2)c1O.CC1=CC=C(/C=N/c2ccc(-c3cc(-c4ccc(/N=C/c5ccc(C)[nH]5)cc4)c(-c4ccc(/N=C/c5ccc(C)[nH]5)cc4)cc3-c3ccc(/N=C/c4ccc(C)[nH]4)cc3)cc2)C1.CC1=CC=C(/C=N/c2ccc(C(c3ccc(/N=C/c4ccc(C)[nH]4)cc3)C(c3ccc(/N=C/c4ccc(C)[nH]4)cc3)c3ccc(/N=C/c4ccc(C)[nH]4)cc3)cc2)C1
InChIInChI=1S/C76H78N4O4.C55H47N7.C51H47N7/c1-73(2,3)63-21-13-17-55(69(63)81)45-77-59-37-29-51(30-38-59)67(52-31-39-60(40-32-52)78-46-56-18-14-22-64(70(56)82)74(4,5)6)49-25-27-50(28-26-49)68(53-33-41-61(42-34-53)79-47-57-19-15-23-65(71(57)83)75(7,8)9)54-35-43-62(44-36-54)80-48-58-20-16-24-66(72(58)84)76(10,11)12;1-36-5-9-40(29-36)32-56-45-21-10-41(11-22-45)52-30-54(43-14-25-47(26-15-43)58-34-50-19-7-38(3)61-50)55(44-16-27-48(28-17-44)59-35-51-20-8-39(4)62-51)31-53(52)42-12-23-46(24-13-42)57-33-49-18-6-37(2)60-49;1-34-5-9-38(29-34)30-52-43-21-10-39(11-22-43)50(40-12-23-44(24-13-40)53-31-47-18-6-35(2)56-47)51(41-14-25-45(26-15-41)54-32-48-19-7-36(3)57-48)42-16-27-46(28-17-42)55-33-49-20-8-37(4)58-49/h13-48,67-68,81-84H,1-12H3;5-28,30-35,60-62H,29H2,1-4H3;5-28,30-33,50-51,56-58H,29H2,1-4H3/b77-45+,78-46+,79-47+,80-48+;56-32+,57-33+,58-34+,59-35+;52-30+,53-31+,54-32+,55-33+
InChIKeyKJARSXHBJHUARW-ZEWCNNBWSA-N
XLogP46.35
TPSA323.98 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002675.50
LogP ≤ 546.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
The IUPAC name of 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine (CID 159148984) is 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine.
What is the SMILES notation for 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
The canonical SMILES for 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine is CC(C)(C)c1cccc(/C=N/c2ccc(C(c3ccc(/N=C/c4cccc(C(C)(C)C)c4O)cc3)c3ccc(C(c4ccc(/N=C/c5cccc(C(C)(C)C)c5O)cc4)c4ccc(/N=C/c5cccc(C(C)(C)C)c5O)cc4)cc3)cc2)c1O.CC1=CC=C(/C=N/c2ccc(-c3cc(-c4ccc(/N=C/c5ccc(C)[nH]5)cc4)c(-c4ccc(/N=C/c5ccc(C)[nH]5)cc4)cc3-c3ccc(/N=C/c4ccc(C)[nH]4)cc3)cc2)C1.CC1=CC=C(/C=N/c2ccc(C(c3ccc(/N=C/c4ccc(C)[nH]4)cc3)C(c3ccc(/N=C/c4ccc(C)[nH]4)cc3)c3ccc(/N=C/c4ccc(C)[nH]4)cc3)cc2)C1.
What is the InChIKey of 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
The InChIKey is KJARSXHBJHUARW-ZEWCNNBWSA-N. The full InChI is InChI=1S/C76H78N4O4.C55H47N7.C51H47N7/c1-73(2,3)63-21-13-17-55(69(63)81)45-77-59-37-29-51(30-38-59)67(52-31-39-60(40-32-52)78-46-56-18-14-22-64(70(56)82)74(4,5)6)49-25-27-50(28-26-49)68(53-33-41-61(42-34-53)79-47-57-19-15-23-65(71(57)83)75(7,8)9)54-35-43-62(44-36-54)80-48-58-20-16-24-66(72(58)84)76(10,11)12;1-36-5-9-40(29-36)32-56-45-21-10-41(11-22-45)52-30-54(43-14-25-47(26-15-43)58-34-50-19-7-38(3)61-50)55(44-16-27-48(28-17-44)59-35-51-20-8-39(4)62-51)31-53(52)42-12-23-46(24-13-42)57-33-49-18-6-37(2)60-49;1-34-5-9-38(29-34)30-52-43-21-10-39(11-22-43)50(40-12-23-44(24-13-40)53-31-47-18-6-35(2)56-47)51(41-14-25-45(26-15-41)54-32-48-19-7-36(3)57-48)42-16-27-46(28-17-42)55-33-49-20-8-37(4)58-49/h13-48,67-68,81-84H,1-12H3;5-28,30-35,60-62H,29H2,1-4H3;5-28,30-33,50-51,56-58H,29H2,1-4H3/b77-45+,78-46+,79-47+,80-48+;56-32+,57-33+,58-34+,59-35+;52-30+,53-31+,54-32+,55-33+.
What are the key properties of 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine has a molecular weight of 2675.50 g/mol, XLogP of 46.35, 39 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-6-tert-butylphenol;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[1,2,2-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]ethyl]phenyl]methanimine;1-(4-methylcyclopenta-1,3-dien-1-yl)-N-[4-[2,4,5-tris[4-[(5-methyl-1H-pyrrol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine is sourced from PubChem (CID 159148984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).