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

C56H59N3 — CID 58412099

IUPAC2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine
SMILESCCCCCCc1ccc(C2(c3ccc(-c4nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C56H59N3/c1-10-11-12-13-14-39-17-25-45(26-18-39)56(49-35-37(2)15-33-47(49)48-34-16-38(3)36-50(48)56)46-31-23-42(24-32-46)53-58-51(40-19-27-43(28-20-40)54(4,5)6)57-52(59-53)41-21-29-44(30-22-41)55(7,8)9/h15-36H,10-14H2,1-9H3
InChIKeyHBTZUXUPXOLHIH-UHFFFAOYSA-N
MW774.11 g/mol
LogP14.57
Rot. Bonds10

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

2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine (PubChem CID 58412099) has the molecular formula C56H59N3 and a molecular weight of 774.11 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine
PubChem CID58412099
Molecular FormulaC56H59N3
Molecular Weight774.11 g/mol
Exact Mass773.47
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine
SMILESCCCCCCc1ccc(C2(c3ccc(-c4nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C56H59N3/c1-10-11-12-13-14-39-17-25-45(26-18-39)56(49-35-37(2)15-33-47(49)48-34-16-38(3)36-50(48)56)46-31-23-42(24-32-46)53-58-51(40-19-27-43(28-20-40)54(4,5)6)57-52(59-53)41-21-29-44(30-22-41)55(7,8)9/h15-36H,10-14H2,1-9H3
InChIKeyHBTZUXUPXOLHIH-UHFFFAOYSA-N
XLogP14.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.11
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
2,4-bis(tert-butylsulfanyl)-6-[4-[9-(4-hexylphenyl)-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 58078201
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
4-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-4-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-1,4-diamine
CID 140553757
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
2-[6-[9-(4-hexylphenyl)-7,9-dimethylfluoren-2-yl]-3-pyridinyl]-4,6-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,3,5-triazine
CID 140941428
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine (CID 58412099) is 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine is CCCCCCc1ccc(C2(c3ccc(-c4nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine?
The InChIKey is HBTZUXUPXOLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H59N3/c1-10-11-12-13-14-39-17-25-45(26-18-39)56(49-35-37(2)15-33-47(49)48-34-16-38(3)36-50(48)56)46-31-23-42(24-32-46)53-58-51(40-19-27-43(28-20-40)54(4,5)6)57-52(59-53)41-21-29-44(30-22-41)55(7,8)9/h15-36H,10-14H2,1-9H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 774.11 g/mol, XLogP of 14.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 58412099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).