2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine

C75H51Br2Cl2N9 — CID 157258498

IUPAC2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Brc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Clc1cnc(-c2ccccc2)nc1-c1ccccc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C22H15BrN2.C16H11ClN2.C15H10ClN3/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18;23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17;17-14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h2*1-15H;1-11H;1-10H
InChIKeyAXEFJUGUXUOXSO-UHFFFAOYSA-N
MW1309.01 g/mol
LogP20.80
Rot. Bonds10

About 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine

2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine (PubChem CID 157258498) has the molecular formula C75H51Br2Cl2N9 and a molecular weight of 1309.01 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine
PubChem CID157258498
Molecular FormulaC75H51Br2Cl2N9
Molecular Weight1309.01 g/mol
Exact Mass1305.20
IUPAC Name2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Brc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Clc1cnc(-c2ccccc2)nc1-c1ccccc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C22H15BrN2.C16H11ClN2.C15H10ClN3/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18;23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17;17-14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h2*1-15H;1-11H;1-10H
InChIKeyAXEFJUGUXUOXSO-UHFFFAOYSA-N
XLogP20.80
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.01
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

5-Bromo-2-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 89736167
1-Bromo-4-methyl-2-propan-2-ylbenzene;2-bromo-1-methyl-5-propan-2-yl-3-(trifluoromethyl)benzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;1,2-dichloro-3-methyl-5-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;5-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2,3,5-trifluoro-6-methyl-4-propan-2-ylpyridine
CID 157961160
3-bromoaniline;N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine;4-N-(3-bromophenyl)-2-N-(3-ethenylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;3-ethenylaniline;molecular hydrogen;6-(trifluoromethyl)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),2,5,7,9,11,13(21),14,16(20),17-decaene;6-(trifluoromethyl)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9,11,13(21),16(20),17-nonaene
CID 157972896
1-Bromo-4-methyl-2-propan-2-ylbenzene;2-bromo-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;1,2-dichloro-3-methyl-5-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;5-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2,3,5-trifluoro-6-methyl-4-propan-2-ylpyridine
CID 160272659
1-Bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;2-bromo-3-chloropyridine;2-bromopyrimidine;2-bromo-4-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine
CID 173920716
5-(4-Bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
CID 160669499
4-Phenyl-2-[4-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 68018244
2-Phenyl-4-[4-[4-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 68018274
4-Phenyl-6-[4-[4-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 68018330
4-Phenyl-6-[4-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 68018332
4-(3-Phenylphenyl)-2-[4-(3-phenylphenyl)-6-(3-pyrimidin-5-ylphenyl)pyrimidin-2-yl]-6-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 68025846
4-(4-Phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 88557857

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine (CID 157258498) is 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine is Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Brc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Clc1cnc(-c2ccccc2)nc1-c1ccccc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AXEFJUGUXUOXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15BrN2.C16H11ClN2.C15H10ClN3/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18;23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17;17-14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h2*1-15H;1-11H;1-10H.
What are the key properties of 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine?
2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1309.01 g/mol, XLogP of 20.80, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157258498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).