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

C93H72N10 — CID 102416900

IUPAC4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(-c7nc(-c8ccc(C)cc8)nc(-c8ccc(C)cc8)n7)cc6)cc5)c5ccc(/C=C/c6ccc(-c7nc(-c8ccc(C)cc8)nc(-c8ccc(C)cc8)n7)cc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C93H72N10/c1-61-7-37-73(38-8-61)85-94-86(74-39-9-62(2)10-40-74)98-91(97-85)79-49-25-67(26-50-79)19-22-70-31-55-82(56-32-70)103(83-57-33-71(34-58-83)23-20-68-27-51-80(52-28-68)92-99-87(75-41-11-63(3)12-42-75)95-88(100-92)76-43-13-64(4)14-44-76)84-59-35-72(36-60-84)24-21-69-29-53-81(54-30-69)93-101-89(77-45-15-65(5)16-46-77)96-90(102-93)78-47-17-66(6)18-48-78/h7-60H,1-6H3/b22-19+,23-20+,24-21+
InChIKeyYKIATFSQPSYCAC-IKVQWSBMSA-N
MW1329.67 g/mol
LogP23.08
Rot. Bonds18

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

4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline (PubChem CID 102416900) has the molecular formula C93H72N10 and a molecular weight of 1329.67 g/mol. Its IUPAC name is 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
PubChem CID102416900
Molecular FormulaC93H72N10
Molecular Weight1329.67 g/mol
Exact Mass1328.59
IUPAC Name4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(-c7nc(-c8ccc(C)cc8)nc(-c8ccc(C)cc8)n7)cc6)cc5)c5ccc(/C=C/c6ccc(-c7nc(-c8ccc(C)cc8)nc(-c8ccc(C)cc8)n7)cc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C93H72N10/c1-61-7-37-73(38-8-61)85-94-86(74-39-9-62(2)10-40-74)98-91(97-85)79-49-25-67(26-50-79)19-22-70-31-55-82(56-32-70)103(83-57-33-71(34-58-83)23-20-68-27-51-80(52-28-68)92-99-87(75-41-11-63(3)12-42-75)95-88(100-92)76-43-13-64(4)14-44-76)84-59-35-72(36-60-84)24-21-69-29-53-81(54-30-69)93-101-89(77-45-15-65(5)16-46-77)96-90(102-93)78-47-17-66(6)18-48-78/h7-60H,1-6H3/b22-19+,23-20+,24-21+
InChIKeyYKIATFSQPSYCAC-IKVQWSBMSA-N
XLogP23.08
TPSA119.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.67
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-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-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline (CID 102416900) is 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(-c7nc(-c8ccc(C)cc8)nc(-c8ccc(C)cc8)n7)cc6)cc5)c5ccc(/C=C/c6ccc(-c7nc(-c8ccc(C)cc8)nc(-c8ccc(C)cc8)n7)cc6)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
The InChIKey is YKIATFSQPSYCAC-IKVQWSBMSA-N. The full InChI is InChI=1S/C93H72N10/c1-61-7-37-73(38-8-61)85-94-86(74-39-9-62(2)10-40-74)98-91(97-85)79-49-25-67(26-50-79)19-22-70-31-55-82(56-32-70)103(83-57-33-71(34-58-83)23-20-68-27-51-80(52-28-68)92-99-87(75-41-11-63(3)12-42-75)95-88(100-92)76-43-13-64(4)14-44-76)84-59-35-72(36-60-84)24-21-69-29-53-81(54-30-69)93-101-89(77-45-15-65(5)16-46-77)96-90(102-93)78-47-17-66(6)18-48-78/h7-60H,1-6H3/b22-19+,23-20+,24-21+.
What are the key properties of 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline?
4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 1329.67 g/mol, XLogP of 23.08, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 102416900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).