N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline

C105H104N10 — CID 76695561

IUPACN-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2nc(C=Cc3ccc(N(c4ccc(C=Cc5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cc5)cc4)c4ccc(C=Cc5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C105H104N10/c1-100(2,3)82-50-38-76(39-51-82)92-106-91(107-93(108-92)77-40-52-83(53-41-77)101(4,5)6)68-33-73-31-66-90(67-32-73)115(88-62-27-71(28-63-88)21-19-69-23-34-74(35-24-69)94-109-96(78-42-54-84(55-43-78)102(7,8)9)113-97(110-94)79-44-56-85(57-45-79)103(10,11)12)89-64-29-72(30-65-89)22-20-70-25-36-75(37-26-70)95-111-98(80-46-58-86(59-47-80)104(13,14)15)114-99(112-95)81-48-60-87(61-49-81)105(16,17)18/h19-68H,1-18H3
InChIKeyNZDBKZMTMRQLPE-UHFFFAOYSA-N
MW1506.06 g/mol
LogP27.34
Rot. Bonds17

About N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline

N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline (PubChem CID 76695561) has the molecular formula C105H104N10 and a molecular weight of 1506.06 g/mol. Its IUPAC name is N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
PubChem CID76695561
Molecular FormulaC105H104N10
Molecular Weight1506.06 g/mol
Exact Mass1504.84
IUPAC NameN-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2nc(C=Cc3ccc(N(c4ccc(C=Cc5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cc5)cc4)c4ccc(C=Cc5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C105H104N10/c1-100(2,3)82-50-38-76(39-51-82)92-106-91(107-93(108-92)77-40-52-83(53-41-77)101(4,5)6)68-33-73-31-66-90(67-32-73)115(88-62-27-71(28-63-88)21-19-69-23-34-74(35-24-69)94-109-96(78-42-54-84(55-43-78)102(7,8)9)113-97(110-94)79-44-56-85(57-45-79)103(10,11)12)89-64-29-72(30-65-89)22-20-70-25-36-75(37-26-70)95-111-98(80-46-58-86(59-47-80)104(13,14)15)114-99(112-95)81-48-60-87(61-49-81)105(16,17)18/h19-68H,1-18H3
InChIKeyNZDBKZMTMRQLPE-UHFFFAOYSA-N
XLogP27.34
TPSA119.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.06
LogP ≤ 527.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The IUPAC name of N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline (CID 76695561) is N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline is CC(C)(C)c1ccc(-c2nc(C=Cc3ccc(N(c4ccc(C=Cc5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cc5)cc4)c4ccc(C=Cc5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The InChIKey is NZDBKZMTMRQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H104N10/c1-100(2,3)82-50-38-76(39-51-82)92-106-91(107-93(108-92)77-40-52-83(53-41-77)101(4,5)6)68-33-73-31-66-90(67-32-73)115(88-62-27-71(28-63-88)21-19-69-23-34-74(35-24-69)94-109-96(78-42-54-84(55-43-78)102(7,8)9)113-97(110-94)79-44-56-85(57-45-79)103(10,11)12)89-64-29-72(30-65-89)22-20-70-25-36-75(37-26-70)95-111-98(80-46-58-86(59-47-80)104(13,14)15)114-99(112-95)81-48-60-87(61-49-81)105(16,17)18/h19-68H,1-18H3.
What are the key properties of N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 1506.06 g/mol, XLogP of 27.34, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N-[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 76695561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).