2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid

C130H89B2Br3N8O4 — CID 158625479

IUPAC2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid
SMILESBrc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cc3ccccc3c3ccccc23)c1.Brc1cc(Br)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.OB(O)c1cc2ccccc2c2ccccc12.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C47H31N3.C36H23BrN2.C22H14Br2N2.C14H11BO2.C11H10BNO2/c1-3-13-33(14-4-1)45-31-46(34-15-5-2-6-16-34)50-47(49-45)39-28-37(32-22-24-35(25-23-32)44-21-11-12-26-48-44)27-38(29-39)43-30-36-17-7-8-18-40(36)41-19-9-10-20-42(41)43;37-29-20-27(33-22-26-15-7-8-16-30(26)31-17-9-10-18-32(31)33)19-28(21-29)36-38-34(24-11-3-1-4-12-24)23-35(39-36)25-13-5-2-6-14-25;23-18-11-17(12-19(24)13-18)22-25-20(15-7-3-1-4-8-15)14-21(26-22)16-9-5-2-6-10-16;16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-31H;1-23H;1-14H;1-9,16-17H;1-8,14-15H
InChIKeyHYNPZYZKTNWVND-UHFFFAOYSA-N
MW2088.53 g/mol
LogP31.50
Rot. Bonds16

About 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid

2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid (PubChem CID 158625479) has the molecular formula C130H89B2Br3N8O4 and a molecular weight of 2088.53 g/mol. Its IUPAC name is 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid.

Molecular Properties

Compound Name2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid
PubChem CID158625479
Molecular FormulaC130H89B2Br3N8O4
Molecular Weight2088.53 g/mol
Exact Mass2084.47
IUPAC Name2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid
SMILESBrc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cc3ccccc3c3ccccc23)c1.Brc1cc(Br)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.OB(O)c1cc2ccccc2c2ccccc12.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C47H31N3.C36H23BrN2.C22H14Br2N2.C14H11BO2.C11H10BNO2/c1-3-13-33(14-4-1)45-31-46(34-15-5-2-6-16-34)50-47(49-45)39-28-37(32-22-24-35(25-23-32)44-21-11-12-26-48-44)27-38(29-39)43-30-36-17-7-8-18-40(36)41-19-9-10-20-42(41)43;37-29-20-27(33-22-26-15-7-8-16-30(26)31-17-9-10-18-32(31)33)19-28(21-29)36-38-34(24-11-3-1-4-12-24)23-35(39-36)25-13-5-2-6-14-25;23-18-11-17(12-19(24)13-18)22-25-20(15-7-3-1-4-8-15)14-21(26-22)16-9-5-2-6-10-16;16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-31H;1-23H;1-14H;1-9,16-17H;1-8,14-15H
InChIKeyHYNPZYZKTNWVND-UHFFFAOYSA-N
XLogP31.50
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.53
LogP ≤ 531.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid with MolForge

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Related Compounds

(5-Bromo-2-pyridinyl)-tributylstannane;bis(5-(5-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,5-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)
CID 157561506
(4-Bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)
CID 161097469
2-[4-(10-Bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088202
2-[4-[10-[4-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58233404
4-(10-Naphthalen-2-ylanthracen-9-yl)-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
CID 58322632
4-(10-Naphthalen-1-ylanthracen-9-yl)-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
CID 58322647
5,10-Bis(2,6-dipyridin-4-ylpyrimidin-4-yl)benzo[g]isoquinoline
CID 59183082
2-[3,5-Bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 67984341
2-[2,4-Bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenylpyrimidin-2-yl)phenyl]-5-phenylpyrimidine
CID 67990629
2-[4-[2,4-Bis(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 67990657
5-Phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 67990666
4-Naphthalen-2-yl-2-[4-[4-[4-naphthalen-2-yl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 68018245

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid?
The IUPAC name of 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid (CID 158625479) is 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid.
What is the SMILES notation for 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid?
The canonical SMILES for 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid is Brc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cc3ccccc3c3ccccc23)c1.Brc1cc(Br)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.OB(O)c1cc2ccccc2c2ccccc12.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid?
The InChIKey is HYNPZYZKTNWVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C36H23BrN2.C22H14Br2N2.C14H11BO2.C11H10BNO2/c1-3-13-33(14-4-1)45-31-46(34-15-5-2-6-16-34)50-47(49-45)39-28-37(32-22-24-35(25-23-32)44-21-11-12-26-48-44)27-38(29-39)43-30-36-17-7-8-18-40(36)41-19-9-10-20-42(41)43;37-29-20-27(33-22-26-15-7-8-16-30(26)31-17-9-10-18-32(31)33)19-28(21-29)36-38-34(24-11-3-1-4-12-24)23-35(39-36)25-13-5-2-6-14-25;23-18-11-17(12-19(24)13-18)22-25-20(15-7-3-1-4-8-15)14-21(26-22)16-9-5-2-6-10-16;16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-31H;1-23H;1-14H;1-9,16-17H;1-8,14-15H.
What are the key properties of 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid?
2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid has a molecular weight of 2088.53 g/mol, XLogP of 31.50, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid is sourced from PubChem (CID 158625479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).