3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline

C172H108N16 — CID 165062621

IUPAC3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2c1
InChIInChI=1S/C50H32N4.C46H28N4.2C38H24N4/c1-4-14-43-34(9-1)12-7-16-45(43)36-21-27-39(28-22-36)49-52-48(38-25-19-33(20-26-38)42-31-41-11-3-6-18-47(41)51-32-42)53-50(54-49)40-29-23-37(24-30-40)46-17-8-13-35-10-2-5-15-44(35)46;1-4-14-35-31(11-1)26-41(39-18-8-6-16-37(35)39)45-48-44(30-23-21-29(22-24-30)34-25-33-13-3-10-20-43(33)47-28-34)49-46(50-45)42-27-32-12-2-5-15-36(32)38-17-7-9-19-40(38)42;1-4-14-31-26(9-1)12-7-16-33(31)37-40-36(41-38(42-37)34-17-8-13-27-10-2-5-15-32(27)34)28-21-19-25(20-22-28)30-23-29-11-3-6-18-35(29)39-24-30;1-3-9-29-21-32(19-15-25(29)7-1)37-40-36(41-38(42-37)33-20-16-26-8-2-4-10-30(26)22-33)28-17-13-27(14-18-28)34-23-31-11-5-6-12-35(31)39-24-34/h1-32H;1-28H;2*1-24H
InChIKeyRLILKZXOQYDTAZ-UHFFFAOYSA-N
MW2398.87 g/mol
LogP43.22
Rot. Bonds18

About 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline

3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 165062621) has the molecular formula C172H108N16 and a molecular weight of 2398.87 g/mol. Its IUPAC name is 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID165062621
Molecular FormulaC172H108N16
Molecular Weight2398.87 g/mol
Exact Mass2396.89
IUPAC Name3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2c1
InChIInChI=1S/C50H32N4.C46H28N4.2C38H24N4/c1-4-14-43-34(9-1)12-7-16-45(43)36-21-27-39(28-22-36)49-52-48(38-25-19-33(20-26-38)42-31-41-11-3-6-18-47(41)51-32-42)53-50(54-49)40-29-23-37(24-30-40)46-17-8-13-35-10-2-5-15-44(35)46;1-4-14-35-31(11-1)26-41(39-18-8-6-16-37(35)39)45-48-44(30-23-21-29(22-24-30)34-25-33-13-3-10-20-43(33)47-28-34)49-46(50-45)42-27-32-12-2-5-15-36(32)38-17-7-9-19-40(38)42;1-4-14-31-26(9-1)12-7-16-33(31)37-40-36(41-38(42-37)34-17-8-13-27-10-2-5-15-32(27)34)28-21-19-25(20-22-28)30-23-29-11-3-6-18-35(29)39-24-30;1-3-9-29-21-32(19-15-25(29)7-1)37-40-36(41-38(42-37)33-20-16-26-8-2-4-10-30(26)22-33)28-17-13-27(14-18-28)34-23-31-11-5-6-12-35(31)39-24-34/h1-32H;1-28H;2*1-24H
InChIKeyRLILKZXOQYDTAZ-UHFFFAOYSA-N
XLogP43.22
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.87
LogP ≤ 543.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline with MolForge

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Related Compounds

3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161219617
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 160773519
3-[4-[3-[2,6-di(quinolin-3-yl)pyrimidin-4-yl]phenyl]-6-quinolin-3-ylpyrimidin-2-yl]quinoline;2-naphthalen-2-yl-4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidine;3-[4-[2-naphthalen-2-yl-6-[3-[2-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-[3-[6-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-2-yl]phenyl]quinoline;3-[4-[2-phenanthren-9-yl-6-[3-[2-phenanthren-9-yl-6-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]quinoline;3-[4-[4-phenanthren-9-yl-6-[3-[6-phenanthren-9-yl-2-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-2-yl]phenyl]quinoline
CID 157214730
2,4-diphenyl-6-[4-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 160754470
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754
2,4-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165041588
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-[4-chrysen-1-yl-3-(4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439365
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 165062621) is 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc2cc(-c3nc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2c1.
What is the InChIKey of 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is RLILKZXOQYDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.C46H28N4.2C38H24N4/c1-4-14-43-34(9-1)12-7-16-45(43)36-21-27-39(28-22-36)49-52-48(38-25-19-33(20-26-38)42-31-41-11-3-6-18-47(41)51-32-42)53-50(54-49)40-29-23-37(24-30-40)46-17-8-13-35-10-2-5-15-44(35)46;1-4-14-35-31(11-1)26-41(39-18-8-6-16-37(35)39)45-48-44(30-23-21-29(22-24-30)34-25-33-13-3-10-20-43(33)47-28-34)49-46(50-45)42-27-32-12-2-5-15-36(32)38-17-7-9-19-40(38)42;1-4-14-31-26(9-1)12-7-16-33(31)37-40-36(41-38(42-37)34-17-8-13-27-10-2-5-15-32(27)34)28-21-19-25(20-22-28)30-23-29-11-3-6-18-35(29)39-24-30;1-3-9-29-21-32(19-15-25(29)7-1)37-40-36(41-38(42-37)33-20-16-26-8-2-4-10-30(26)22-33)28-17-13-27(14-18-28)34-23-31-11-5-6-12-35(31)39-24-34/h1-32H;1-28H;2*1-24H.
What are the key properties of 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 2398.87 g/mol, XLogP of 43.22, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 165062621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).