4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol

C55H41N5O — CID 177431422

IUPAC4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol
SMILESOc1nc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)nc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C55H41N5O/c61-55-57-53(45-33-25-41(26-34-45)21-23-43-29-37-51(38-30-43)59(47-13-5-1-6-14-47)48-15-7-2-8-16-48)56-54(58-55)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)60(49-17-9-3-10-18-49)50-19-11-4-12-20-50/h1-40H,(H,56,57,58,61)/b23-21+,24-22+
InChIKeyVDHQLPALAYZUQI-MBALSZOMSA-N
MW787.97 g/mol
LogP14.19
Rot. Bonds12

About 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol

4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol (PubChem CID 177431422) has the molecular formula C55H41N5O and a molecular weight of 787.97 g/mol. Its IUPAC name is 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol.

Molecular Properties

Compound Name4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol
PubChem CID177431422
Molecular FormulaC55H41N5O
Molecular Weight787.97 g/mol
Exact Mass787.33
IUPAC Name4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol
SMILESOc1nc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)nc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C55H41N5O/c61-55-57-53(45-33-25-41(26-34-45)21-23-43-29-37-51(38-30-43)59(47-13-5-1-6-14-47)48-15-7-2-8-16-48)56-54(58-55)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)60(49-17-9-3-10-18-49)50-19-11-4-12-20-50/h1-40H,(H,56,57,58,61)/b23-21+,24-22+
InChIKeyVDHQLPALAYZUQI-MBALSZOMSA-N
XLogP14.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 514.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(E)-2-[4,6-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]-N,N-diphenylaniline
CID 102184385
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol?
The IUPAC name of 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol (CID 177431422) is 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol.
What is the SMILES notation for 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol?
The canonical SMILES for 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol is Oc1nc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)nc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1.
What is the InChIKey of 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol?
The InChIKey is VDHQLPALAYZUQI-MBALSZOMSA-N. The full InChI is InChI=1S/C55H41N5O/c61-55-57-53(45-33-25-41(26-34-45)21-23-43-29-37-51(38-30-43)59(47-13-5-1-6-14-47)48-15-7-2-8-16-48)56-54(58-55)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)60(49-17-9-3-10-18-49)50-19-11-4-12-20-50/h1-40H,(H,56,57,58,61)/b23-21+,24-22+.
What are the key properties of 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol?
4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol has a molecular weight of 787.97 g/mol, XLogP of 14.19, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol is sourced from PubChem (CID 177431422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).