2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine

C102H80N10 — CID 165084516

IUPAC2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine
SMILESCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5C5CCCCC5)c4)n3)c2)c(C)n1
InChIInChI=1S/C51H37N5.C51H43N5/c1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)45-33-46(54-51(53-45)39-23-13-6-14-24-39)42-27-16-28-43(32-42)50-49(38-21-11-5-12-22-38)55-47(36-17-7-3-8-18-36)48(56-50)37-19-9-4-10-20-37;1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)46-33-45(36-17-7-3-8-18-36)53-51(54-46)43-28-16-27-42(32-43)50-49(39-23-13-6-14-24-39)55-47(37-19-9-4-10-20-37)48(56-50)38-21-11-5-12-22-38/h3-33H,1-2H3;3-5,7-12,15-22,25-33,39H,6,13-14,23-24H2,1-2H3
InChIKeyVQVOWYDOEGYZGD-UHFFFAOYSA-N
MW1445.83 g/mol
LogP25.61
Rot. Bonds16

About 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine

2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine (PubChem CID 165084516) has the molecular formula C102H80N10 and a molecular weight of 1445.83 g/mol. Its IUPAC name is 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine.

Molecular Properties

Compound Name2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine
PubChem CID165084516
Molecular FormulaC102H80N10
Molecular Weight1445.83 g/mol
Exact Mass1444.66
IUPAC Name2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine
SMILESCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5C5CCCCC5)c4)n3)c2)c(C)n1
InChIInChI=1S/C51H37N5.C51H43N5/c1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)45-33-46(54-51(53-45)39-23-13-6-14-24-39)42-27-16-28-43(32-42)50-49(38-21-11-5-12-22-38)55-47(36-17-7-3-8-18-36)48(56-50)37-19-9-4-10-20-37;1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)46-33-45(36-17-7-3-8-18-36)53-51(54-46)43-28-16-27-42(32-43)50-49(39-23-13-6-14-24-39)55-47(37-19-9-4-10-20-37)48(56-50)38-21-11-5-12-22-38/h3-33H,1-2H3;3-5,7-12,15-22,25-33,39H,6,13-14,23-24H2,1-2H3
InChIKeyVQVOWYDOEGYZGD-UHFFFAOYSA-N
XLogP25.61
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.83
LogP ≤ 525.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine with MolForge

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Related Compounds

2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine
CID 164779851
2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 164979934
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331
2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenylpyrimidine
CID 176622520
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 170118120
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 156513034
2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 168843560
2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 151298818
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 155773765
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine?
The IUPAC name of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine (CID 165084516) is 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine.
What is the SMILES notation for 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine?
The canonical SMILES for 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine is Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5C5CCCCC5)c4)n3)c2)c(C)n1.
What is the InChIKey of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine?
The InChIKey is VQVOWYDOEGYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5.C51H43N5/c1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)45-33-46(54-51(53-45)39-23-13-6-14-24-39)42-27-16-28-43(32-42)50-49(38-21-11-5-12-22-38)55-47(36-17-7-3-8-18-36)48(56-50)37-19-9-4-10-20-37;1-34-29-30-44(35(2)52-34)40-25-15-26-41(31-40)46-33-45(36-17-7-3-8-18-36)53-51(54-46)43-28-16-27-42(32-43)50-49(39-23-13-6-14-24-39)55-47(37-19-9-4-10-20-37)48(56-50)38-21-11-5-12-22-38/h3-33H,1-2H3;3-5,7-12,15-22,25-33,39H,6,13-14,23-24H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine?
2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine has a molecular weight of 1445.83 g/mol, XLogP of 25.61, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[3-[4-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-5,6-diphenylpyrazine;2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine is sourced from PubChem (CID 165084516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).