2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

C172H118N14 — CID 167644430

About 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167644430) has the molecular formula C172H118N14 and a molecular weight of 2380.93 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 167644430
• Molecular Formula: C172H118N14
• Molecular Weight: 2380.93 g/mol
• Exact Mass: 2378.97
• IUPAC Name: 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)cc21.[C-]#[N+]c1cc(-c2ccc(-c3ccccc3)cc2)cc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12.[C-]#[N+]c1cccc(-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3)cc2)c1
• InChI: InChI=1S/2C48H35N3.2C38H24N4/c1-48(2)43-25-10-9-24-41(43)42-27-26-38(31-44(42)48)36-20-11-19-35(28-36)37-21-13-23-40(30-37)47-50-45(33-16-7-4-8-17-33)49-46(51-47)39-22-12-18-34(29-39)32-14-5-3-6-15-32;1-48(2)43-22-10-9-21-41(43)42-28-27-39(31-44(42)48)37-18-11-17-36(29-37)38-19-12-20-40(30-38)47-50-45(34-15-7-4-8-16-34)49-46(51-47)35-25-23-33(24-26-35)32-13-5-3-6-14-32;1-39-35-25-32(28-19-17-27(18-20-28)26-11-5-2-6-12-26)24-33-23-31(21-22-34(33)35)38-41-36(29-13-7-3-8-14-29)40-37(42-38)30-15-9-4-10-16-30;1-39-35-14-8-13-31(25-35)26-15-17-27(18-16-26)32-21-19-28-20-22-33(24-34(28)23-32)38-41-36(29-9-4-2-5-10-29)40-37(42-38)30-11-6-3-7-12-30/h2*3-31H,1-2H3;2*2-25H
• InChIKey: PQJXJHVUHPLAQJ-UHFFFAOYSA-N
• XLogP: 44.18
• TPSA: 163.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2380.93
LogP ≤ 5	44.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 167644430) is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)cc21.[C-]#[N+]c1cc(-c2ccc(-c3ccccc3)cc2)cc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12.[C-]#[N+]c1cccc(-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3)cc2)c1.

What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PQJXJHVUHPLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H35N3.2C38H24N4/c1-48(2)43-25-10-9-24-41(43)42-27-26-38(31-44(42)48)36-20-11-19-35(28-36)37-21-13-23-40(30-37)47-50-45(33-16-7-4-8-17-33)49-46(51-47)39-22-12-18-34(29-39)32-14-5-3-6-15-32;1-48(2)43-22-10-9-21-41(43)42-28-27-39(31-44(42)48)37-18-11-17-36(29-37)38-19-12-20-40(30-38)47-50-45(34-15-7-4-8-16-34)49-46(51-47)35-25-23-33(24-26-35)32-13-5-3-6-14-32;1-39-35-25-32(28-19-17-27(18-20-28)26-11-5-2-6-12-26)24-33-23-31(21-22-34(33)35)38-41-36(29-13-7-3-8-14-29)40-37(42-38)30-15-9-4-10-16-30;1-39-35-14-8-13-31(25-35)26-15-17-27(18-16-26)32-21-19-28-20-22-33(24-34(28)23-32)38-41-36(29-9-4-2-5-10-29)40-37(42-38)30-11-6-3-7-12-30/h2*3-31H,1-2H3;2*2-25H.

What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2380.93 g/mol, XLogP of 44.18, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167644430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).