3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline

C130H84N16 — CID 159780364

IUPAC3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5ccc6nccnc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nccnc6c5)cc4)nc(-c4ccc(-c5ccc6nccnc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6nccnc6n5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C46H30N4.C44H28N6.C40H26N6/c1-2-6-31(7-3-1)33-10-17-36(18-11-33)43-30-44(37-19-12-34(13-20-37)40-23-16-32-8-4-5-9-39(32)28-40)50-46(49-43)38-21-14-35(15-22-38)41-24-25-42-45(29-41)48-27-26-47-42;1-2-4-29(5-3-1)30-6-12-33(13-7-30)40-28-41(34-14-8-31(9-15-34)36-18-20-38-42(26-36)47-24-22-45-38)50-44(49-40)35-16-10-32(11-17-35)37-19-21-39-43(27-37)48-25-23-46-39;1-3-7-27(8-4-1)29-11-15-31(16-12-29)35-25-36(45-38(44-35)34-21-13-30(14-22-34)28-9-5-2-6-10-28)32-17-19-33(20-18-32)37-26-43-39-40(46-37)42-24-23-41-39/h1-30H;1-28H;1-26H
InChIKeyNHGXLIQEQGKJMW-UHFFFAOYSA-N
MW1870.21 g/mol
LogP31.15
Rot. Bonds18

About 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline

3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline (PubChem CID 159780364) has the molecular formula C130H84N16 and a molecular weight of 1870.21 g/mol. Its IUPAC name is 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline.

Molecular Properties

Compound Name3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline
PubChem CID159780364
Molecular FormulaC130H84N16
Molecular Weight1870.21 g/mol
Exact Mass1868.71
IUPAC Name3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5ccc6nccnc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nccnc6c5)cc4)nc(-c4ccc(-c5ccc6nccnc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6nccnc6n5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C46H30N4.C44H28N6.C40H26N6/c1-2-6-31(7-3-1)33-10-17-36(18-11-33)43-30-44(37-19-12-34(13-20-37)40-23-16-32-8-4-5-9-39(32)28-40)50-46(49-43)38-21-14-35(15-22-38)41-24-25-42-45(29-41)48-27-26-47-42;1-2-4-29(5-3-1)30-6-12-33(13-7-30)40-28-41(34-14-8-31(9-15-34)36-18-20-38-42(26-36)47-24-22-45-38)50-44(49-40)35-16-10-32(11-17-35)37-19-21-39-43(27-37)48-25-23-46-39;1-3-7-27(8-4-1)29-11-15-31(16-12-29)35-25-36(45-38(44-35)34-21-13-30(14-22-34)28-9-5-2-6-10-28)32-17-19-33(20-18-32)37-26-43-39-40(46-37)42-24-23-41-39/h1-30H;1-28H;1-26H
InChIKeyNHGXLIQEQGKJMW-UHFFFAOYSA-N
XLogP31.15
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.21
LogP ≤ 531.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline with MolForge

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Related Compounds

6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline
CID 146382687
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 165013839

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline?
The IUPAC name of 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline (CID 159780364) is 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline.
What is the SMILES notation for 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline?
The canonical SMILES for 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5ccc6nccnc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nccnc6c5)cc4)nc(-c4ccc(-c5ccc6nccnc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6nccnc6n5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline?
The InChIKey is NHGXLIQEQGKJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C44H28N6.C40H26N6/c1-2-6-31(7-3-1)33-10-17-36(18-11-33)43-30-44(37-19-12-34(13-20-37)40-23-16-32-8-4-5-9-39(32)28-40)50-46(49-43)38-21-14-35(15-22-38)41-24-25-42-45(29-41)48-27-26-47-42;1-2-4-29(5-3-1)30-6-12-33(13-7-30)40-28-41(34-14-8-31(9-15-34)36-18-20-38-42(26-36)47-24-22-45-38)50-44(49-40)35-16-10-32(11-17-35)37-19-21-39-43(27-37)48-25-23-46-39;1-3-7-27(8-4-1)29-11-15-31(16-12-29)35-25-36(45-38(44-35)34-21-13-30(14-22-34)28-9-5-2-6-10-28)32-17-19-33(20-18-32)37-26-43-39-40(46-37)42-24-23-41-39/h1-30H;1-28H;1-26H.
What are the key properties of 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline?
3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline has a molecular weight of 1870.21 g/mol, XLogP of 31.15, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrazino[2,3-b]pyrazine;6-[4-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]quinoxaline;6-[4-[4-(4-phenylphenyl)-6-(4-quinoxalin-6-ylphenyl)pyrimidin-2-yl]phenyl]quinoxaline is sourced from PubChem (CID 159780364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).