5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole

C77H78N4O7 — CID 91034988

IUPAC5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole
SMILESCCOc1cc2oc(-c3ccc(-c4ccc(-c5nc6cc(C7CCCCC7)c(C)cc6o5)cc4)cc3)nc2cc1C1CCCCC1.COc1cc2oc(-c3ccc(-c4ccc(-c5nc6cc(C(C)(C)C)c(OC)cc6o5)cc4)cc3)nc2cc1C(C)(C)C
InChIInChI=1S/C41H42N2O3.C36H36N2O4/c1-3-44-37-25-39-36(24-34(37)30-12-8-5-9-13-30)43-41(46-39)32-20-16-28(17-21-32)27-14-18-31(19-15-27)40-42-35-23-33(26(2)22-38(35)45-40)29-10-6-4-7-11-29;1-35(2,3)25-17-27-31(19-29(25)39-7)41-33(37-27)23-13-9-21(10-14-23)22-11-15-24(16-12-22)34-38-28-18-26(36(4,5)6)30(40-8)20-32(28)42-34/h14-25,29-30H,3-13H2,1-2H3;9-20H,1-8H3
InChIKeyCPGKXICEYJCYJH-UHFFFAOYSA-N
MW1171.49 g/mol
LogP21.35
Rot. Bonds12

About 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole

5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole (PubChem CID 91034988) has the molecular formula C77H78N4O7 and a molecular weight of 1171.49 g/mol. Its IUPAC name is 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole
PubChem CID91034988
Molecular FormulaC77H78N4O7
Molecular Weight1171.49 g/mol
Exact Mass1170.59
IUPAC Name5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole
SMILESCCOc1cc2oc(-c3ccc(-c4ccc(-c5nc6cc(C7CCCCC7)c(C)cc6o5)cc4)cc3)nc2cc1C1CCCCC1.COc1cc2oc(-c3ccc(-c4ccc(-c5nc6cc(C(C)(C)C)c(OC)cc6o5)cc4)cc3)nc2cc1C(C)(C)C
InChIInChI=1S/C41H42N2O3.C36H36N2O4/c1-3-44-37-25-39-36(24-34(37)30-12-8-5-9-13-30)43-41(46-39)32-20-16-28(17-21-32)27-14-18-31(19-15-27)40-42-35-23-33(26(2)22-38(35)45-40)29-10-6-4-7-11-29;1-35(2,3)25-17-27-31(19-29(25)39-7)41-33(37-27)23-13-9-21(10-14-23)22-11-15-24(16-12-22)34-38-28-18-26(36(4,5)6)30(40-8)20-32(28)42-34/h14-25,29-30H,3-13H2,1-2H3;9-20H,1-8H3
InChIKeyCPGKXICEYJCYJH-UHFFFAOYSA-N
XLogP21.35
TPSA131.81 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.49
LogP ≤ 521.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole (CID 91034988) is 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole is CCOc1cc2oc(-c3ccc(-c4ccc(-c5nc6cc(C7CCCCC7)c(C)cc6o5)cc4)cc3)nc2cc1C1CCCCC1.COc1cc2oc(-c3ccc(-c4ccc(-c5nc6cc(C(C)(C)C)c(OC)cc6o5)cc4)cc3)nc2cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole?
The InChIKey is CPGKXICEYJCYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N2O3.C36H36N2O4/c1-3-44-37-25-39-36(24-34(37)30-12-8-5-9-13-30)43-41(46-39)32-20-16-28(17-21-32)27-14-18-31(19-15-27)40-42-35-23-33(26(2)22-38(35)45-40)29-10-6-4-7-11-29;1-35(2,3)25-17-27-31(19-29(25)39-7)41-33(37-27)23-13-9-21(10-14-23)22-11-15-24(16-12-22)34-38-28-18-26(36(4,5)6)30(40-8)20-32(28)42-34/h14-25,29-30H,3-13H2,1-2H3;9-20H,1-8H3.
What are the key properties of 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole?
5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole has a molecular weight of 1171.49 g/mol, XLogP of 21.35, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[4-[4-(5-tert-butyl-6-methoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methoxy-1,3-benzoxazole;5-cyclohexyl-2-[4-[4-(5-cyclohexyl-6-ethoxy-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 91034988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).