2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C58H53N3 — CID 171749098

IUPAC2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)c1
InChIInChI=1S/C58H53N3/c1-55(2,3)45-35-41(39-29-30-50-51(37-39)57(6,7)32-31-56(50,4)5)33-42(36-45)54-60-52(38-19-10-8-11-20-38)59-53(61-54)40-21-18-24-44(34-40)58(43-22-12-9-13-23-43)48-27-16-14-25-46(48)47-26-15-17-28-49(47)58/h8-30,33-37H,31-32H2,1-7H3
InChIKeyWXEWMXUQDVWFGI-UHFFFAOYSA-N
MW792.08 g/mol
LogP14.55
Rot. Bonds6

About 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 171749098) has the molecular formula C58H53N3 and a molecular weight of 792.08 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID171749098
Molecular FormulaC58H53N3
Molecular Weight792.08 g/mol
Exact Mass791.42
IUPAC Name2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)c1
InChIInChI=1S/C58H53N3/c1-55(2,3)45-35-41(39-29-30-50-51(37-39)57(6,7)32-31-56(50,4)5)33-42(36-45)54-60-52(38-19-10-8-11-20-38)59-53(61-54)40-21-18-24-44(34-40)58(43-22-12-9-13-23-43)48-27-16-14-25-46(48)47-26-15-17-28-49(47)58/h8-30,33-37H,31-32H2,1-7H3
InChIKeyWXEWMXUQDVWFGI-UHFFFAOYSA-N
XLogP14.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.08
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
2-(3,5-ditert-butylphenyl)-4-[3-isocyano-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171749174
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161211377

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 171749098) is 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is CC(C)(C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)c1.
What is the InChIKey of 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is WXEWMXUQDVWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53N3/c1-55(2,3)45-35-41(39-29-30-50-51(37-39)57(6,7)32-31-56(50,4)5)33-42(36-45)54-60-52(38-19-10-8-11-20-38)59-53(61-54)40-21-18-24-44(34-40)58(43-22-12-9-13-23-43)48-27-16-14-25-46(48)47-26-15-17-28-49(47)58/h8-30,33-37H,31-32H2,1-7H3.
What are the key properties of 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 792.08 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171749098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).