2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine

C84H91N3 — CID 88941299

About 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine

2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 88941299) has the molecular formula C84H91N3 and a molecular weight of 1142.67 g/mol. Its IUPAC name is 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 88941299
• Molecular Formula: C84H91N3
• Molecular Weight: 1142.67 g/mol
• Exact Mass: 1141.72
• IUPAC Name: 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine
• SMILES: CCCCCCc1ccc(C2(c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)nc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)n5)cc4)cc3)c3cc(C(C)(CC)CC)ccc3-c3ccc(C(C)(CC)CC)cc32)cc1
• InChI: InChI=1S/C84H91N3/c1-14-19-20-21-22-57-23-43-69(44-24-57)84(75-55-71(82(12,15-2)16-3)51-53-73(75)74-54-52-72(56-76(74)84)83(13,17-4)18-5)70-49-41-63(42-50-70)60-29-35-66(36-30-60)79-86-77(64-31-25-58(26-32-64)61-37-45-67(46-38-61)80(6,7)8)85-78(87-79)65-33-27-59(28-34-65)62-39-47-68(48-40-62)81(9,10)11/h23-56H,14-22H2,1-13H3
• InChIKey: ARYMGYAFJRDECC-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1142.67
LogP ≤ 5	23.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine (CID 88941299) is 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine is CCCCCCc1ccc(C2(c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)nc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)n5)cc4)cc3)c3cc(C(C)(CC)CC)ccc3-c3ccc(C(C)(CC)CC)cc32)cc1.

What is the InChIKey of 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is ARYMGYAFJRDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H91N3/c1-14-19-20-21-22-57-23-43-69(44-24-57)84(75-55-71(82(12,15-2)16-3)51-53-73(75)74-54-52-72(56-76(74)84)83(13,17-4)18-5)70-49-41-63(42-50-70)60-29-35-66(36-30-60)79-86-77(64-31-25-58(26-32-64)61-37-45-67(46-38-61)80(6,7)8)85-78(87-79)65-33-27-59(28-34-65)62-39-47-68(48-40-62)81(9,10)11/h23-56H,14-22H2,1-13H3.

What are the key properties of 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine?

2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1142.67 g/mol, XLogP of 23.11, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[9-(4-hexylphenyl)-2,7-bis(3-methylpentan-3-yl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 88941299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).