2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene

C230H261B3O6 — CID 159980923

IUPAC2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene
SMILESCC(C)(C)c1cc2cc(B3OC(C)(C)C(C)(C)O3)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(B5OC(C)(C)C(C)(C)O5)cc5cc(B6OC(C)(C)C(C)(C)O6)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cccc5cccc(c(c1)c23)c54.CC(C)(C)c1cc2cccc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C40H50B2O4.C38H47BO2.2C36H44.C32H36.C28H28.C20H12/c1-35(2,3)25-15-23-16-26(36(4,5)6)20-30-32-22-28(42-45-39(11,12)40(13,14)46-42)18-24-17-27(41-43-37(7,8)38(9,10)44-41)21-31(34(24)32)29(19-25)33(23)30;1-34(2,3)24-14-22-15-25(35(4,5)6)20-30-31-21-27(39-40-37(10,11)38(12,13)41-39)17-23-16-26(36(7,8)9)19-29(33(23)31)28(18-24)32(22)30;2*1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-30(2,3)21-13-19-11-10-12-24-25-16-22(31(4,5)6)14-20-15-23(32(7,8)9)18-27(29(20)25)26(17-21)28(19)24;1-27(2,3)19-13-18-14-20(28(4,5)6)16-24-22-12-8-10-17-9-7-11-21(25(17)22)23(15-19)26(18)24;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h15-22H,1-14H3;14-21H,1-13H3;2*13-20H,1-12H3;10-18H,1-9H3;7-16H,1-6H3;1-12H
InChIKeyOFTIZCRFSKBTTI-UHFFFAOYSA-N
MW3154.05 g/mol
LogP64.41
Rot. Bonds3

About 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene

2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene (PubChem CID 159980923) has the molecular formula C230H261B3O6 and a molecular weight of 3154.05 g/mol. Its IUPAC name is 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene.

Molecular Properties

Compound Name2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene
PubChem CID159980923
Molecular FormulaC230H261B3O6
Molecular Weight3154.05 g/mol
Exact Mass3152.04
IUPAC Name2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene
SMILESCC(C)(C)c1cc2cc(B3OC(C)(C)C(C)(C)O3)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(B5OC(C)(C)C(C)(C)O5)cc5cc(B6OC(C)(C)C(C)(C)O6)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cccc5cccc(c(c1)c23)c54.CC(C)(C)c1cc2cccc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C40H50B2O4.C38H47BO2.2C36H44.C32H36.C28H28.C20H12/c1-35(2,3)25-15-23-16-26(36(4,5)6)20-30-32-22-28(42-45-39(11,12)40(13,14)46-42)18-24-17-27(41-43-37(7,8)38(9,10)44-41)21-31(34(24)32)29(19-25)33(23)30;1-34(2,3)24-14-22-15-25(35(4,5)6)20-30-31-21-27(39-40-37(10,11)38(12,13)41-39)17-23-16-26(36(7,8)9)19-29(33(23)31)28(18-24)32(22)30;2*1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-30(2,3)21-13-19-11-10-12-24-25-16-22(31(4,5)6)14-20-15-23(32(7,8)9)18-27(29(20)25)26(17-21)28(19)24;1-27(2,3)19-13-18-14-20(28(4,5)6)16-24-22-12-8-10-17-9-7-11-21(25(17)22)23(15-19)26(18)24;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h15-22H,1-14H3;14-21H,1-13H3;2*13-20H,1-12H3;10-18H,1-9H3;7-16H,1-6H3;1-12H
InChIKeyOFTIZCRFSKBTTI-UHFFFAOYSA-N
XLogP64.41
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms239
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003154.05
LogP ≤ 564.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene with MolForge

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Related Compounds

2-[8,11-ditert-butyl-5-(2,5-dimethylhexan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90808425
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
4,4,5,5-tetramethyl-2-[5-methyl-8,11-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-1,3,2-dioxaborolane
CID 89063635
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10762705
(8-tert-butylperylen-2-yl)-trimethylsilane
CID 59664329
2-[5,17-bis(3,5-ditert-butylphenyl)-10-octacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2,4(18),5,7(30),8,10,12,14,16,19,21,23,25(29),26-pentadecaenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89470709
4,4,5,5-tetramethyl-2-perylen-1-yl-1,3,2-dioxaborolane
CID 171780177
2-[4-(7-tert-butylpyren-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89348800
4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane
CID 177264639
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
2-(5-bromo-4-methylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169132131
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
CID 70913706

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene?
The IUPAC name of 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene (CID 159980923) is 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene.
What is the SMILES notation for 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene?
The canonical SMILES for 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene is CC(C)(C)c1cc2cc(B3OC(C)(C)C(C)(C)O3)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(B5OC(C)(C)C(C)(C)O5)cc5cc(B6OC(C)(C)C(C)(C)O6)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cccc5cccc(c(c1)c23)c54.CC(C)(C)c1cc2cccc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene?
The InChIKey is OFTIZCRFSKBTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50B2O4.C38H47BO2.2C36H44.C32H36.C28H28.C20H12/c1-35(2,3)25-15-23-16-26(36(4,5)6)20-30-32-22-28(42-45-39(11,12)40(13,14)46-42)18-24-17-27(41-43-37(7,8)38(9,10)44-41)21-31(34(24)32)29(19-25)33(23)30;1-34(2,3)24-14-22-15-25(35(4,5)6)20-30-31-21-27(39-40-37(10,11)38(12,13)41-39)17-23-16-26(36(7,8)9)19-29(33(23)31)28(18-24)32(22)30;2*1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-30(2,3)21-13-19-11-10-12-24-25-16-22(31(4,5)6)14-20-15-23(32(7,8)9)18-27(29(20)25)26(17-21)28(19)24;1-27(2,3)19-13-18-14-20(28(4,5)6)16-24-22-12-8-10-17-9-7-11-21(25(17)22)23(15-19)26(18)24;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h15-22H,1-14H3;14-21H,1-13H3;2*13-20H,1-12H3;10-18H,1-9H3;7-16H,1-6H3;1-12H.
What are the key properties of 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene?
2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene has a molecular weight of 3154.05 g/mol, XLogP of 64.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene is sourced from PubChem (CID 159980923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).