2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine

C93H58Cl3N9 — CID 163978951

About 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine

2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 163978951) has the molecular formula C93H58Cl3N9 and a molecular weight of 1407.91 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
• PubChem CID: 163978951
• Molecular Formula: C93H58Cl3N9
• Molecular Weight: 1407.91 g/mol
• Exact Mass: 1405.39
• IUPAC Name: 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
• SMILES: Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1.Clc1nc(-c2ccccc2)nc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c3ccccc23)n1
• InChI: InChI=1S/C35H22ClN3.C33H20ClN3.C25H16ClN3/c36-35-38-33(25-13-5-2-6-14-25)37-34(39-35)26-21-19-24(20-22-26)32-29-17-9-7-15-27(29)31(23-11-3-1-4-12-23)28-16-8-10-18-30(28)32;34-33-36-31(23-12-8-11-22(19-23)21-9-2-1-3-10-21)35-32(37-33)24-17-18-29-27-15-5-4-13-25(27)26-14-6-7-16-28(26)30(29)20-24;26-25-28-23(18-11-5-2-6-12-18)27-24(29-25)22-16-15-19(17-9-3-1-4-10-17)20-13-7-8-14-21(20)22/h1-22H;1-20H;1-16H
• InChIKey: SWQQNXPYSXYAEX-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1407.91
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

The IUPAC name of 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine (CID 163978951) is 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

The canonical SMILES for 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1.Clc1nc(-c2ccccc2)nc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c3ccccc23)n1.

What is the InChIKey of 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

The InChIKey is SWQQNXPYSXYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22ClN3.C33H20ClN3.C25H16ClN3/c36-35-38-33(25-13-5-2-6-14-25)37-34(39-35)26-21-19-24(20-22-26)32-29-17-9-7-15-27(29)31(23-11-3-1-4-12-23)28-16-8-10-18-30(28)32;34-33-36-31(23-12-8-11-22(19-23)21-9-2-1-3-10-21)35-32(37-33)24-17-18-29-27-15-5-4-13-25(27)26-14-6-7-16-28(26)30(29)20-24;26-25-28-23(18-11-5-2-6-12-18)27-24(29-25)22-16-15-19(17-9-3-1-4-10-17)20-13-7-8-14-21(20)22/h1-22H;1-20H;1-16H.

What are the key properties of 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine?

2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 1407.91 g/mol, XLogP of 25.16, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 163978951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).