2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine

C115H94B3N5O6 — CID 158187215

IUPAC2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)ccc6ccc3c4c65)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6cccc(-c7ccncc7)n6)ccc6ccc3c4c65)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6ccccn6)ccc6ccc3c4c65)cc2)OC1(C)C
InChIInChI=1S/C44H35BN2O2.C38H31BN2O2.C33H28BNO2/c1-43(2)44(3,4)49-45(48-43)34-17-11-28(12-18-34)35-19-13-29-16-22-38-36(20-14-30-15-21-37(35)41(29)42(30)38)31-25-32(39-9-5-7-23-46-39)27-33(26-31)40-10-6-8-24-47-40;1-37(2)38(3,4)43-39(42-37)28-14-8-24(9-15-28)29-16-10-26-13-19-32-30(17-11-27-12-18-31(29)35(26)36(27)32)34-7-5-6-33(41-34)25-20-22-40-23-21-25;1-32(2)33(3,4)37-34(36-32)24-14-8-21(9-15-24)25-16-10-22-13-19-28-26(29-7-5-6-20-35-29)17-11-23-12-18-27(25)30(22)31(23)28/h5-27H,1-4H3;5-23H,1-4H3;5-20H,1-4H3
InChIKeyFZHDBIUYNYCOKB-UHFFFAOYSA-N
MW1674.48 g/mol
LogP26.63
Rot. Bonds12

About 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine

2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine (PubChem CID 158187215) has the molecular formula C115H94B3N5O6 and a molecular weight of 1674.48 g/mol. Its IUPAC name is 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine
PubChem CID158187215
Molecular FormulaC115H94B3N5O6
Molecular Weight1674.48 g/mol
Exact Mass1673.75
IUPAC Name2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)ccc6ccc3c4c65)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6cccc(-c7ccncc7)n6)ccc6ccc3c4c65)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6ccccn6)ccc6ccc3c4c65)cc2)OC1(C)C
InChIInChI=1S/C44H35BN2O2.C38H31BN2O2.C33H28BNO2/c1-43(2)44(3,4)49-45(48-43)34-17-11-28(12-18-34)35-19-13-29-16-22-38-36(20-14-30-15-21-37(35)41(29)42(30)38)31-25-32(39-9-5-7-23-46-39)27-33(26-31)40-10-6-8-24-47-40;1-37(2)38(3,4)43-39(42-37)28-14-8-24(9-15-28)29-16-10-26-13-19-32-30(17-11-27-12-18-31(29)35(26)36(27)32)34-7-5-6-33(41-34)25-20-22-40-23-21-25;1-32(2)33(3,4)37-34(36-32)24-14-8-21(9-15-24)25-16-10-22-13-19-28-26(29-7-5-6-20-35-29)17-11-23-12-18-27(25)30(22)31(23)28/h5-27H,1-4H3;5-23H,1-4H3;5-20H,1-4H3
InChIKeyFZHDBIUYNYCOKB-UHFFFAOYSA-N
XLogP26.63
TPSA119.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.48
LogP ≤ 526.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine with MolForge

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Related Compounds

2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 151939850
4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrimidine
CID 169036239
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
CID 134167800
2-[4-(7-tert-butylpyren-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89348800
2-bromo-6-pyridin-4-ylpyridine;2-phenyl-4,6-bis[4-(6-pyridin-4-yl-2-pyridinyl)phenyl]pyrimidine;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 158470082
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
CID 126730917
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 58340445

Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine?
The IUPAC name of 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine (CID 158187215) is 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine.
What is the SMILES notation for 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine?
The canonical SMILES for 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine is CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)ccc6ccc3c4c65)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6cccc(-c7ccncc7)n6)ccc6ccc3c4c65)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc4ccc5c(-c6ccccn6)ccc6ccc3c4c65)cc2)OC1(C)C.
What is the InChIKey of 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine?
The InChIKey is FZHDBIUYNYCOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35BN2O2.C38H31BN2O2.C33H28BNO2/c1-43(2)44(3,4)49-45(48-43)34-17-11-28(12-18-34)35-19-13-29-16-22-38-36(20-14-30-15-21-37(35)41(29)42(30)38)31-25-32(39-9-5-7-23-46-39)27-33(26-31)40-10-6-8-24-47-40;1-37(2)38(3,4)43-39(42-37)28-14-8-24(9-15-28)29-16-10-26-13-19-32-30(17-11-27-12-18-31(29)35(26)36(27)32)34-7-5-6-33(41-34)25-20-22-40-23-21-25;1-32(2)33(3,4)37-34(36-32)24-14-8-21(9-15-24)25-16-10-22-13-19-28-26(29-7-5-6-20-35-29)17-11-23-12-18-27(25)30(22)31(23)28/h5-27H,1-4H3;5-23H,1-4H3;5-20H,1-4H3.
What are the key properties of 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine?
2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine has a molecular weight of 1674.48 g/mol, XLogP of 26.63, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;2-pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine;2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine is sourced from PubChem (CID 158187215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).