(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole

C62H76N4 — CID 129174972

IUPAC(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole
SMILESCc1cc2c(cc1C(C)C)N(c1ccc(C(C)(C)C)cc1)/C(=C1\N(c3ccc(C(C)(C)C)cc3)c3cc(C)c(C(C)C)cc3N1c1ccc(C(C)(C)C)cc1)N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C62H76N4/c1-39(2)51-37-55-53(35-41(51)5)63(47-27-19-43(20-28-47)59(7,8)9)57(65(55)49-31-23-45(24-32-49)61(13,14)15)58-64(48-29-21-44(22-30-48)60(10,11)12)54-36-42(6)52(40(3)4)38-56(54)66(58)50-33-25-46(26-34-50)62(16,17)18/h19-40H,1-18H3/b58-57+
InChIKeyUQBMZAGRQDNBNR-UPRQXYPZSA-N
MW877.32 g/mol
LogP18.15
Rot. Bonds6

About (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole

(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole (PubChem CID 129174972) has the molecular formula C62H76N4 and a molecular weight of 877.32 g/mol. Its IUPAC name is (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole
PubChem CID129174972
Molecular FormulaC62H76N4
Molecular Weight877.32 g/mol
Exact Mass876.61
IUPAC Name(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole
SMILESCc1cc2c(cc1C(C)C)N(c1ccc(C(C)(C)C)cc1)/C(=C1\N(c3ccc(C(C)(C)C)cc3)c3cc(C)c(C(C)C)cc3N1c1ccc(C(C)(C)C)cc1)N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C62H76N4/c1-39(2)51-37-55-53(35-41(51)5)63(47-27-19-43(20-28-47)59(7,8)9)57(65(55)49-31-23-45(24-32-49)61(13,14)15)58-64(48-29-21-44(22-30-48)60(10,11)12)54-36-42(6)52(40(3)4)38-56(54)66(58)50-33-25-46(26-34-50)62(16,17)18/h19-40H,1-18H3/b58-57+
InChIKeyUQBMZAGRQDNBNR-UPRQXYPZSA-N
XLogP18.15
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.32
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole?
The IUPAC name of (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole (CID 129174972) is (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole.
What is the SMILES notation for (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole?
The canonical SMILES for (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole is Cc1cc2c(cc1C(C)C)N(c1ccc(C(C)(C)C)cc1)/C(=C1\N(c3ccc(C(C)(C)C)cc3)c3cc(C)c(C(C)C)cc3N1c1ccc(C(C)(C)C)cc1)N2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole?
The InChIKey is UQBMZAGRQDNBNR-UPRQXYPZSA-N. The full InChI is InChI=1S/C62H76N4/c1-39(2)51-37-55-53(35-41(51)5)63(47-27-19-43(20-28-47)59(7,8)9)57(65(55)49-31-23-45(24-32-49)61(13,14)15)58-64(48-29-21-44(22-30-48)60(10,11)12)54-36-42(6)52(40(3)4)38-56(54)66(58)50-33-25-46(26-34-50)62(16,17)18/h19-40H,1-18H3/b58-57+.
What are the key properties of (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole?
(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole has a molecular weight of 877.32 g/mol, XLogP of 18.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole is sourced from PubChem (CID 129174972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).