2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine

C134H85N9 — CID 167686287

About 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine

2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 167686287) has the molecular formula C134H85N9 and a molecular weight of 1821.22 g/mol. Its IUPAC name is 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 167686287
• Molecular Formula: C134H85N9
• Molecular Weight: 1821.22 g/mol
• Exact Mass: 1819.69
• IUPAC Name: 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccc6c7ccccc7ccc6c45)n3)cc21.c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4ccc5c6ccccc6ccc5c34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6ccc7c8ccccc8ccc7c56)c5ccccc45)n3)ccc2c1
• InChI: InChI=1S/C51H31N3.C42H29N3.C41H25N3/c1-3-13-36-30-38(22-20-32(36)10-1)49-52-50(39-23-21-33-11-2-4-14-37(33)31-39)54-51(53-49)47-29-28-44(41-17-7-8-18-42(41)47)45-19-9-15-35-25-26-43-40-16-6-5-12-34(40)24-27-46(43)48(35)45;1-42(2)36-18-9-8-16-32(36)33-23-21-29(25-37(33)42)40-43-39(28-12-4-3-5-13-28)44-41(45-40)35-17-10-14-27-20-22-31-30-15-7-6-11-26(30)19-24-34(31)38(27)35;1-2-11-29(12-3-1)39-42-40(31-21-22-34-30(25-31)18-17-26-9-4-6-14-32(26)34)44-41(43-39)37-16-8-13-28-20-23-35-33-15-7-5-10-27(33)19-24-36(35)38(28)37/h1-31H;3-25H,1-2H3;1-25H
• InChIKey: WGPKHGJYOJDDLO-UHFFFAOYSA-N
• XLogP: 34.74
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1821.22
LogP ≤ 5	34.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine (CID 167686287) is 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccc6c7ccccc7ccc6c45)n3)cc21.c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4ccc5c6ccccc6ccc5c34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6ccc7c8ccccc8ccc7c56)c5ccccc45)n3)ccc2c1.

What is the InChIKey of 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?

The InChIKey is WGPKHGJYOJDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3.C42H29N3.C41H25N3/c1-3-13-36-30-38(22-20-32(36)10-1)49-52-50(39-23-21-33-11-2-4-14-37(33)31-39)54-51(53-49)47-29-28-44(41-17-7-8-18-42(41)47)45-19-9-15-35-25-26-43-40-16-6-5-12-34(40)24-27-46(43)48(35)45;1-42(2)36-18-9-8-16-32(36)33-23-21-29(25-37(33)42)40-43-39(28-12-4-3-5-13-28)44-41(45-40)35-17-10-14-27-20-22-31-30-15-7-6-11-26(30)19-24-34(31)38(27)35;1-2-11-29(12-3-1)39-42-40(31-21-22-34-30(25-31)18-17-26-9-4-6-14-32(26)34)44-41(43-39)37-16-8-13-28-20-23-35-33-15-7-5-10-27(33)19-24-36(35)38(28)37/h1-31H;3-25H,1-2H3;1-25H.

What are the key properties of 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?

2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 1821.22 g/mol, XLogP of 34.74, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167686287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).