2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine

C85H68N6 — CID 90745853

About 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine

2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine (PubChem CID 90745853) has the molecular formula C85H68N6 and a molecular weight of 1173.52 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine
• PubChem CID: 90745853
• Molecular Formula: C85H68N6
• Molecular Weight: 1173.52 g/mol
• Exact Mass: 1172.55
• IUPAC Name: 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine
• SMILES: Cc1cc(C)c(-c2nc(-c3c(C)cc(CCc4cc(C)c(-c5nc(-c6c(C)cccc6C)nc(-c6cc7c8ccccc8c(-c8ccccc8)cc7c7ccccc67)n5)c(C)c4)cc3C)nc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)n2)c(C)c1
• InChI: InChI=1S/C85H68N6/c1-49-41-52(4)75(53(5)42-49)83-89-84(91-85(90-83)79-68-37-22-20-35-66(68)78(61-29-14-11-15-30-61)67-36-21-23-38-69(67)79)77-56(8)45-59(46-57(77)9)40-39-58-43-54(6)76(55(7)44-58)82-87-80(86-81(88-82)74-50(2)25-24-26-51(74)3)73-48-72-63-32-17-16-31-62(63)70(60-27-12-10-13-28-60)47-71(72)64-33-18-19-34-65(64)73/h10-38,41-48H,39-40H2,1-9H3
• InChIKey: VFKNHRYBEWMENC-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.52
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine?

The IUPAC name of 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine (CID 90745853) is 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine?

The canonical SMILES for 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine is Cc1cc(C)c(-c2nc(-c3c(C)cc(CCc4cc(C)c(-c5nc(-c6c(C)cccc6C)nc(-c6cc7c8ccccc8c(-c8ccccc8)cc7c7ccccc67)n5)c(C)c4)cc3C)nc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)n2)c(C)c1.

What is the InChIKey of 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine?

The InChIKey is VFKNHRYBEWMENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H68N6/c1-49-41-52(4)75(53(5)42-49)83-89-84(91-85(90-83)79-68-37-22-20-35-66(68)78(61-29-14-11-15-30-61)67-36-21-23-38-69(67)79)77-56(8)45-59(46-57(77)9)40-39-58-43-54(6)76(55(7)44-58)82-87-80(86-81(88-82)74-50(2)25-24-26-51(74)3)73-48-72-63-32-17-16-31-62(63)70(60-27-12-10-13-28-60)47-71(72)64-33-18-19-34-65(64)73/h10-38,41-48H,39-40H2,1-9H3.

What are the key properties of 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine?

2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine has a molecular weight of 1173.52 g/mol, XLogP of 21.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine is sourced from PubChem (CID 90745853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).