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

C111H108N10 — CID 90931761

IUPAC4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C=Cc4ccc(N(c5ccc(C=Cc6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)cc5)c5ccc(C=Cc6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)cc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C111H108N10/c1-106(2,3)88-55-43-82(44-56-88)100-112-97(113-101(118-100)83-45-57-89(58-46-83)107(4,5)6)79-37-25-73(26-38-79)19-22-76-31-67-94(68-32-76)121(95-69-33-77(34-70-95)23-20-74-27-39-80(40-28-74)98-114-102(84-47-59-90(60-48-84)108(7,8)9)119-103(115-98)85-49-61-91(62-50-85)109(10,11)12)96-71-35-78(36-72-96)24-21-75-29-41-81(42-30-75)99-116-104(86-51-63-92(64-52-86)110(13,14)15)120-105(117-99)87-53-65-93(66-54-87)111(16,17)18/h19-72H,1-18H3
InChIKeyNPNPOJOTMARBSH-UHFFFAOYSA-N
MW1582.15 g/mol
LogP29.01
Rot. Bonds18

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

4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline (PubChem CID 90931761) has the molecular formula C111H108N10 and a molecular weight of 1582.15 g/mol. Its IUPAC name is 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
PubChem CID90931761
Molecular FormulaC111H108N10
Molecular Weight1582.15 g/mol
Exact Mass1580.88
IUPAC Name4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C=Cc4ccc(N(c5ccc(C=Cc6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)cc5)c5ccc(C=Cc6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)cc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C111H108N10/c1-106(2,3)88-55-43-82(44-56-88)100-112-97(113-101(118-100)83-45-57-89(58-46-83)107(4,5)6)79-37-25-73(26-38-79)19-22-76-31-67-94(68-32-76)121(95-69-33-77(34-70-95)23-20-74-27-39-80(40-28-74)98-114-102(84-47-59-90(60-48-84)108(7,8)9)119-103(115-98)85-49-61-91(62-50-85)109(10,11)12)96-71-35-78(36-72-96)24-21-75-29-41-81(42-30-75)99-116-104(86-51-63-92(64-52-86)110(13,14)15)120-105(117-99)87-53-65-93(66-54-87)111(16,17)18/h19-72H,1-18H3
InChIKeyNPNPOJOTMARBSH-UHFFFAOYSA-N
XLogP29.01
TPSA119.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.15
LogP ≤ 529.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[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 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The IUPAC name of 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline (CID 90931761) is 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[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 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[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(-c3ccc(C=Cc4ccc(N(c5ccc(C=Cc6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)cc5)c5ccc(C=Cc6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)cc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The InChIKey is NPNPOJOTMARBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H108N10/c1-106(2,3)88-55-43-82(44-56-88)100-112-97(113-101(118-100)83-45-57-89(58-46-83)107(4,5)6)79-37-25-73(26-38-79)19-22-76-31-67-94(68-32-76)121(95-69-33-77(34-70-95)23-20-74-27-39-80(40-28-74)98-114-102(84-47-59-90(60-48-84)108(7,8)9)119-103(115-98)85-49-61-91(62-50-85)109(10,11)12)96-71-35-78(36-72-96)24-21-75-29-41-81(42-30-75)99-116-104(86-51-63-92(64-52-86)110(13,14)15)120-105(117-99)87-53-65-93(66-54-87)111(16,17)18/h19-72H,1-18H3.
What are the key properties of 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 1582.15 g/mol, XLogP of 29.01, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 90931761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).