2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine

C224H148N12 — CID 159162275

About 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine

2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine (PubChem CID 159162275) has the molecular formula C224H148N12 and a molecular weight of 3007.73 g/mol. Its IUPAC name is 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine
• PubChem CID: 159162275
• Molecular Formula: C224H148N12
• Molecular Weight: 3007.73 g/mol
• Exact Mass: 3005.19
• IUPAC Name: 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccc4ccccc4c3-c3nc(-c4ccc5ccc6ccccc6c5c4)nc(-c4ccc5ccc6ccccc6c5c4)n3)cccc21.CC1(C)c2ccccc2-c2cc(-c3c(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccc5ccc6ccccc6c5c4)nc(-c4ccc5ccc6ccccc6c5c4)n3)cc21.CC1(C)c2ccccc2-c2cccc(-c3c(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc4ccccc34)c21
• InChI: InChI=1S/4C56H37N3/c1-56(2)50-29-14-13-26-44(50)45-27-15-28-46(52(45)56)51-39-21-8-3-16-34(39)30-31-47(51)53-57-54(48-32-35-17-4-6-19-37(35)40-22-9-11-24-42(40)48)59-55(58-53)49-33-36-18-5-7-20-38(36)41-23-10-12-25-43(41)49;1-56(2)50-26-14-13-25-45(50)47-33-37(28-30-51(47)56)52-40-20-8-3-15-34(40)27-29-46(52)53-57-54(48-31-35-16-4-6-18-38(35)41-21-9-11-23-43(41)48)59-55(58-53)49-32-36-17-5-7-19-39(36)42-22-10-12-24-44(42)49;1-56(2)49-20-10-9-18-46(49)51-44(19-11-21-50(51)56)45-31-30-36-14-5-8-17-43(36)52(45)55-58-53(39-28-26-37-24-22-34-12-3-6-15-41(34)47(37)32-39)57-54(59-55)40-29-27-38-25-23-35-13-4-7-16-42(35)48(38)33-40;1-56(2)50-18-10-9-17-46(50)47-30-28-39(33-51(47)56)45-29-27-36-13-5-8-16-44(36)52(45)55-58-53(40-25-23-37-21-19-34-11-3-6-14-42(34)48(37)31-40)57-54(59-55)41-26-24-38-22-20-35-12-4-7-15-43(35)49(38)32-41/h4*3-33H,1-2H3
• InChIKey: KKQGUEXABUZFNZ-UHFFFAOYSA-N
• XLogP: 58.45
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3007.73
LogP ≤ 5	58.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine?

The IUPAC name of 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine (CID 159162275) is 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine?

The canonical SMILES for 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4ccccc4c3-c3nc(-c4ccc5ccc6ccccc6c5c4)nc(-c4ccc5ccc6ccccc6c5c4)n3)cccc21.CC1(C)c2ccccc2-c2cc(-c3c(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccc5ccc6ccccc6c5c4)nc(-c4ccc5ccc6ccccc6c5c4)n3)cc21.CC1(C)c2ccccc2-c2cccc(-c3c(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc4ccccc34)c21.

What is the InChIKey of 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine?

The InChIKey is KKQGUEXABUZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C56H37N3/c1-56(2)50-29-14-13-26-44(50)45-27-15-28-46(52(45)56)51-39-21-8-3-16-34(39)30-31-47(51)53-57-54(48-32-35-17-4-6-19-37(35)40-22-9-11-24-42(40)48)59-55(58-53)49-33-36-18-5-7-20-38(36)41-23-10-12-25-43(41)49;1-56(2)50-26-14-13-25-45(50)47-33-37(28-30-51(47)56)52-40-20-8-3-15-34(40)27-29-46(52)53-57-54(48-31-35-16-4-6-18-38(35)41-21-9-11-23-43(41)48)59-55(58-53)49-32-36-17-5-7-19-39(36)42-22-10-12-24-44(42)49;1-56(2)49-20-10-9-18-46(49)51-44(19-11-21-50(51)56)45-31-30-36-14-5-8-17-43(36)52(45)55-58-53(39-28-26-37-24-22-34-12-3-6-15-41(34)47(37)32-39)57-54(59-55)40-29-27-38-25-23-35-13-4-7-16-42(35)48(38)33-40;1-56(2)50-18-10-9-17-46(50)47-30-28-39(33-51(47)56)45-29-27-36-13-5-8-16-44(36)52(45)55-58-53(40-25-23-37-21-19-34-11-3-6-14-42(34)48(37)31-40)57-54(59-55)41-26-24-38-22-20-35-12-4-7-15-43(35)49(38)32-41/h4*3-33H,1-2H3.

What are the key properties of 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine?

2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine has a molecular weight of 3007.73 g/mol, XLogP of 58.45, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine;2-[2-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 159162275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).