2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole

C66H60N6O6 — CID 130355829

IUPAC2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCC(C)c1nc2cc3nc(-c4ccc(-c5c(C(C)C)c(-c6ccc(-c7nc8cc9nc(C(C)C)oc9cc8o7)cc6)c(C(C)C)c(-c6ccc(-c7nc8cc9nc(C(C)C)oc9cc8o7)cc6)c5C(C)C)cc4)oc3cc2o1
InChIInChI=1S/C66H60N6O6/c1-31(2)55-58(37-13-19-40(20-14-37)64-70-46-25-43-49(28-52(46)76-64)73-61(67-43)34(7)8)56(32(3)4)60(39-17-23-42(24-18-39)66-72-48-27-45-51(30-54(48)78-66)75-63(69-45)36(11)12)57(33(5)6)59(55)38-15-21-41(22-16-38)65-71-47-26-44-50(29-53(47)77-65)74-62(68-44)35(9)10/h13-36H,1-12H3
InChIKeyUWARPDKYGHRTLY-UHFFFAOYSA-N
MW1033.24 g/mol
LogP19.28
Rot. Bonds12

About 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole

2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole (PubChem CID 130355829) has the molecular formula C66H60N6O6 and a molecular weight of 1033.24 g/mol. Its IUPAC name is 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
PubChem CID130355829
Molecular FormulaC66H60N6O6
Molecular Weight1033.24 g/mol
Exact Mass1032.46
IUPAC Name2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCC(C)c1nc2cc3nc(-c4ccc(-c5c(C(C)C)c(-c6ccc(-c7nc8cc9nc(C(C)C)oc9cc8o7)cc6)c(C(C)C)c(-c6ccc(-c7nc8cc9nc(C(C)C)oc9cc8o7)cc6)c5C(C)C)cc4)oc3cc2o1
InChIInChI=1S/C66H60N6O6/c1-31(2)55-58(37-13-19-40(20-14-37)64-70-46-25-43-49(28-52(46)76-64)73-61(67-43)34(7)8)56(32(3)4)60(39-17-23-42(24-18-39)66-72-48-27-45-51(30-54(48)78-66)75-63(69-45)36(11)12)57(33(5)6)59(55)38-15-21-41(22-16-38)65-71-47-26-44-50(29-53(47)77-65)74-62(68-44)35(9)10/h13-36H,1-12H3
InChIKeyUWARPDKYGHRTLY-UHFFFAOYSA-N
XLogP19.28
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.24
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole with MolForge

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Related Compounds

4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
CID 140904312
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
6-chloro-5-methyl-2-propan-2-yl-1,3-benzoxazole
CID 82230552
2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole
CID 82230850
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole
CID 118683714
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53237443
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
CID 954530

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole (CID 130355829) is 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole is CC(C)c1nc2cc3nc(-c4ccc(-c5c(C(C)C)c(-c6ccc(-c7nc8cc9nc(C(C)C)oc9cc8o7)cc6)c(C(C)C)c(-c6ccc(-c7nc8cc9nc(C(C)C)oc9cc8o7)cc6)c5C(C)C)cc4)oc3cc2o1.
What is the InChIKey of 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The InChIKey is UWARPDKYGHRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N6O6/c1-31(2)55-58(37-13-19-40(20-14-37)64-70-46-25-43-49(28-52(46)76-64)73-61(67-43)34(7)8)56(32(3)4)60(39-17-23-42(24-18-39)66-72-48-27-45-51(30-54(48)78-66)75-63(69-45)36(11)12)57(33(5)6)59(55)38-15-21-41(22-16-38)65-71-47-26-44-50(29-53(47)77-65)74-62(68-44)35(9)10/h13-36H,1-12H3.
What are the key properties of 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole has a molecular weight of 1033.24 g/mol, XLogP of 19.28, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 130355829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).