4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole

C79H58BBrN8O2 — CID 158427780

IUPAC4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1.C.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C39H26N4.C21H14BrN3.C18H14BNO2.CH4/c1-2-10-30(11-3-1)39-41-35(26-36(42-39)34-14-8-9-25-40-34)29-19-17-27(18-20-29)28-21-23-31(24-22-28)43-37-15-6-4-12-32(37)33-13-5-7-16-38(33)43;22-17-11-9-15(10-12-17)19-14-20(18-8-4-5-13-23-18)25-21(24-19)16-6-2-1-3-7-16;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-26H;1-14H;1-12,21-22H;1H4
InChIKeyHBGOZYMFBRZUTI-UHFFFAOYSA-N
MW1242.10 g/mol
LogP18.37
Rot. Bonds10

About 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole

4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole (PubChem CID 158427780) has the molecular formula C79H58BBrN8O2 and a molecular weight of 1242.10 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
PubChem CID158427780
Molecular FormulaC79H58BBrN8O2
Molecular Weight1242.10 g/mol
Exact Mass1240.40
IUPAC Name4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1.C.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C39H26N4.C21H14BrN3.C18H14BNO2.CH4/c1-2-10-30(11-3-1)39-41-35(26-36(42-39)34-14-8-9-25-40-34)29-19-17-27(18-20-29)28-21-23-31(24-22-28)43-37-15-6-4-12-32(37)33-13-5-7-16-38(33)43;22-17-11-9-15(10-12-17)19-14-20(18-8-4-5-13-23-18)25-21(24-19)16-6-2-1-3-7-16;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-26H;1-14H;1-12,21-22H;1H4
InChIKeyHBGOZYMFBRZUTI-UHFFFAOYSA-N
XLogP18.37
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.10
LogP ≤ 518.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

4-(3-bromophenyl)-2,6-diphenylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 158743913
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 157457709
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118587629
9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid
CID 161144938
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
CID 159934000
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole (CID 158427780) is 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole is Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1.C.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
The InChIKey is HBGOZYMFBRZUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4.C21H14BrN3.C18H14BNO2.CH4/c1-2-10-30(11-3-1)39-41-35(26-36(42-39)34-14-8-9-25-40-34)29-19-17-27(18-20-29)28-21-23-31(24-22-28)43-37-15-6-4-12-32(37)33-13-5-7-16-38(33)43;22-17-11-9-15(10-12-17)19-14-20(18-8-4-5-13-23-18)25-21(24-19)16-6-2-1-3-7-16;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-26H;1-14H;1-12,21-22H;1H4.
What are the key properties of 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole has a molecular weight of 1242.10 g/mol, XLogP of 18.37, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-phenyl-6-pyridin-2-ylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158427780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).