4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C314H200N20 — CID 158111022

About 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 158111022) has the molecular formula C314H200N20 and a molecular weight of 4253.19 g/mol. Its IUPAC name is 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• PubChem CID: 158111022
• Molecular Formula: C314H200N20
• Molecular Weight: 4253.19 g/mol
• Exact Mass: 4249.63
• IUPAC Name: 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)cc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)cc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)cc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)cc(-c3ccc(-c4cncc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)n2)cc1
• InChI: InChI=1S/2C55H35N3.C54H34N4.2C51H33N3.C48H30N4/c1-2-9-42(10-3-1)55-57-53(35-54(58-55)41-27-23-39(24-28-41)47-31-32-56-52-16-7-6-13-50(47)52)40-25-19-37(20-26-40)36-17-21-38(22-18-36)46-14-8-15-48-49(46)30-29-45-33-43-11-4-5-12-44(43)34-51(45)48;1-2-9-42(10-3-1)55-57-53(33-54(58-55)41-27-23-39(24-28-41)52-35-56-34-46-13-6-7-14-48(46)52)40-25-19-37(20-26-40)36-17-21-38(22-18-36)47-15-8-16-49-50(47)30-29-45-31-43-11-4-5-12-44(43)32-51(45)49;1-2-11-39(12-3-1)52-56-53(58-54(57-52)41-30-24-37(25-31-41)42-13-10-32-55-34-42)40-28-22-36(23-29-40)35-20-26-38(27-21-35)49-33-50-45-16-5-4-14-43(45)44-15-6-8-18-47(44)51(50)48-19-9-7-17-46(48)49;1-2-8-40(9-3-1)51-53-49(32-50(54-51)39-25-19-36(20-26-39)44-12-7-29-52-33-44)38-23-17-35(18-24-38)34-15-21-37(22-16-34)45-13-6-14-46-47(45)28-27-43-30-41-10-4-5-11-42(41)31-48(43)46;1-2-7-41(8-3-1)51-53-49(33-50(54-51)40-23-17-36(18-24-40)37-27-29-52-30-28-37)39-21-15-35(16-22-39)34-13-19-38(20-14-34)45-11-6-12-46-47(45)26-25-44-31-42-9-4-5-10-43(42)32-48(44)46;1-2-6-38(7-3-1)46-50-47(52-48(51-46)40-23-15-33(16-24-40)41-10-5-29-49-30-41)39-21-13-32(14-22-39)31-11-17-34(18-12-31)42-27-25-37-20-19-35-8-4-9-36-26-28-43(42)45(37)44(35)36/h2*1-35H;1-34H;2*1-33H;1-30H
• InChIKey: FQKXSNZCYPUYSP-UHFFFAOYSA-N
• XLogP: 81.69
• TPSA: 257.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4253.19
LogP ≤ 5	81.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The IUPAC name of 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 158111022) is 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)cc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)cc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)cc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)cc(-c3ccc(-c4cncc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5ccc5cc7ccccc7cc56)cc4)cc3)n2)cc1.

What is the InChIKey of 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The InChIKey is FQKXSNZCYPUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H35N3.C54H34N4.2C51H33N3.C48H30N4/c1-2-9-42(10-3-1)55-57-53(35-54(58-55)41-27-23-39(24-28-41)47-31-32-56-52-16-7-6-13-50(47)52)40-25-19-37(20-26-40)36-17-21-38(22-18-36)46-14-8-15-48-49(46)30-29-45-33-43-11-4-5-12-44(43)34-51(45)48;1-2-9-42(10-3-1)55-57-53(33-54(58-55)41-27-23-39(24-28-41)52-35-56-34-46-13-6-7-14-48(46)52)40-25-19-37(20-26-40)36-17-21-38(22-18-36)47-15-8-16-49-50(47)30-29-45-31-43-11-4-5-12-44(43)32-51(45)49;1-2-11-39(12-3-1)52-56-53(58-54(57-52)41-30-24-37(25-31-41)42-13-10-32-55-34-42)40-28-22-36(23-29-40)35-20-26-38(27-21-35)49-33-50-45-16-5-4-14-43(45)44-15-6-8-18-47(44)51(50)48-19-9-7-17-46(48)49;1-2-8-40(9-3-1)51-53-49(32-50(54-51)39-25-19-36(20-26-39)44-12-7-29-52-33-44)38-23-17-35(18-24-38)34-15-21-37(22-16-34)45-13-6-14-46-47(45)28-27-43-30-41-10-4-5-11-42(41)31-48(43)46;1-2-7-41(8-3-1)51-53-49(33-50(54-51)40-23-17-36(18-24-40)37-27-29-52-30-28-37)39-21-15-35(16-22-39)34-13-19-38(20-14-34)45-11-6-12-46-47(45)26-25-44-31-42-9-4-5-10-43(42)32-48(44)46;1-2-6-38(7-3-1)46-50-47(52-48(51-46)40-23-15-33(16-24-40)41-10-5-29-49-30-41)39-21-13-32(14-22-39)31-11-17-34(18-12-31)42-27-25-37-20-19-35-8-4-9-36-26-28-43(42)45(37)44(35)36/h2*1-35H;1-34H;2*1-33H;1-30H.

What are the key properties of 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 4253.19 g/mol, XLogP of 81.69, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158111022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).