2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

C206H128N22 — CID 161014556

IUPAC2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5cccnc5)n4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3nc4ccccc4c4c3ccc3ccccc34)nc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c4ccccc34)n2)cc1
InChIInChI=1S/C56H34N6.2C53H33N5.C44H28N6/c1-4-19-36(20-5-1)47-34-48(52-45-33-32-35-18-10-11-25-39(35)49(45)44-30-16-17-31-46(44)57-52)59-55(58-47)50-40-26-12-14-28-42(40)51(43-29-15-13-27-41(43)50)56-61-53(37-21-6-2-7-22-37)60-54(62-56)38-23-8-3-9-24-38;1-4-18-34(19-5-1)46-33-47(45-32-37-24-10-11-25-38(37)39-26-12-13-27-40(39)45)55-52(54-46)48-41-28-14-16-30-43(41)49(44-31-17-15-29-42(44)48)53-57-50(35-20-6-2-7-21-35)56-51(58-53)36-22-8-3-9-23-36;1-3-17-36(18-4-1)50-56-51(37-19-5-2-6-20-37)58-53(57-50)49-44-25-13-11-23-42(44)48(43-24-12-14-26-45(43)49)52-54-46(40-29-27-34-15-7-9-21-38(34)31-40)33-47(55-52)41-30-28-35-16-8-10-22-39(35)32-41;1-4-15-29(16-5-1)37-27-38(47-41(46-37)30-17-6-2-7-18-30)39-33-22-10-12-24-35(33)40(36-25-13-11-23-34(36)39)44-49-42(31-19-8-3-9-20-31)48-43(50-44)32-21-14-26-45-28-32/h1-34H;2*1-33H;1-28H
InChIKeyTXOCGJVCZZYMEK-UHFFFAOYSA-N
MW2911.44 g/mol
LogP50.74
Rot. Bonds24

About 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161014556) has the molecular formula C206H128N22 and a molecular weight of 2911.44 g/mol. Its IUPAC name is 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID161014556
Molecular FormulaC206H128N22
Molecular Weight2911.44 g/mol
Exact Mass2909.07
IUPAC Name2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5cccnc5)n4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3nc4ccccc4c4c3ccc3ccccc34)nc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c4ccccc34)n2)cc1
InChIInChI=1S/C56H34N6.2C53H33N5.C44H28N6/c1-4-19-36(20-5-1)47-34-48(52-45-33-32-35-18-10-11-25-39(35)49(45)44-30-16-17-31-46(44)57-52)59-55(58-47)50-40-26-12-14-28-42(40)51(43-29-15-13-27-41(43)50)56-61-53(37-21-6-2-7-22-37)60-54(62-56)38-23-8-3-9-24-38;1-4-18-34(19-5-1)46-33-47(45-32-37-24-10-11-25-38(37)39-26-12-13-27-40(39)45)55-52(54-46)48-41-28-14-16-30-43(41)49(44-31-17-15-29-42(44)48)53-57-50(35-20-6-2-7-21-35)56-51(58-53)36-22-8-3-9-23-36;1-3-17-36(18-4-1)50-56-51(37-19-5-2-6-20-37)58-53(57-50)49-44-25-13-11-23-42(44)48(43-24-12-14-26-45(43)49)52-54-46(40-29-27-34-15-7-9-21-38(34)31-40)33-47(55-52)41-30-28-35-16-8-10-22-39(35)32-41;1-4-15-29(16-5-1)37-27-38(47-41(46-37)30-17-6-2-7-18-30)39-33-22-10-12-24-35(33)40(36-25-13-11-23-34(36)39)44-49-42(31-19-8-3-9-20-31)48-43(50-44)32-21-14-26-45-28-32/h1-34H;2*1-33H;1-28H
InChIKeyTXOCGJVCZZYMEK-UHFFFAOYSA-N
XLogP50.74
TPSA283.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002911.44
LogP ≤ 550.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
CID 158632556
6-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-2-yl]benzo[k]phenanthridine
CID 126681876
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
4-(4-naphthalen-2-ylphenyl)-6-(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)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263766
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
4-(4-naphthalen-2-ylphenyl)-6-(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)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(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)-2-(4-pyridin-3-ylphenyl)pyrimidine;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)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;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)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 160782848
6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122665638
6-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665786
6-[4-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665626
2-benzo[a]anthracen-7-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130265067
6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 161411337
6-[3-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665527

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (CID 161014556) is 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5cccnc5)n4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3nc4ccccc4c4c3ccc3ccccc34)nc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is TXOCGJVCZZYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6.2C53H33N5.C44H28N6/c1-4-19-36(20-5-1)47-34-48(52-45-33-32-35-18-10-11-25-39(35)49(45)44-30-16-17-31-46(44)57-52)59-55(58-47)50-40-26-12-14-28-42(40)51(43-29-15-13-27-41(43)50)56-61-53(37-21-6-2-7-22-37)60-54(62-56)38-23-8-3-9-24-38;1-4-18-34(19-5-1)46-33-47(45-32-37-24-10-11-25-38(37)39-26-12-13-27-40(39)45)55-52(54-46)48-41-28-14-16-30-43(41)49(44-31-17-15-29-42(44)48)53-57-50(35-20-6-2-7-21-35)56-51(58-53)36-22-8-3-9-23-36;1-3-17-36(18-4-1)50-56-51(37-19-5-2-6-20-37)58-53(57-50)49-44-25-13-11-23-42(44)48(43-24-12-14-26-45(43)49)52-54-46(40-29-27-34-15-7-9-21-38(34)31-40)33-47(55-52)41-30-28-35-16-8-10-22-39(35)32-41;1-4-15-29(16-5-1)37-27-38(47-41(46-37)30-17-6-2-7-18-30)39-33-22-10-12-24-35(33)40(36-25-13-11-23-34(36)39)44-49-42(31-19-8-3-9-20-31)48-43(50-44)32-21-14-26-45-28-32/h1-34H;2*1-33H;1-28H.
What are the key properties of 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2911.44 g/mol, XLogP of 50.74, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine;6-[2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-4-yl]benzo[k]phenanthridine;2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161014556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).