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

C89H85N7 — CID 76695562

IUPACN,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline
SMILESCc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)cc4)cc3)c3ccc(C=Cc4ccc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C89H85N7/c1-60-14-16-61(17-15-60)18-21-64-28-54-77(55-29-64)96(78-56-30-65(31-57-78)22-19-62-24-34-67(35-25-62)80-90-82(69-38-46-73(47-39-69)86(2,3)4)94-83(91-80)70-40-48-74(49-41-70)87(5,6)7)79-58-32-66(33-59-79)23-20-63-26-36-68(37-27-63)81-92-84(71-42-50-75(51-43-71)88(8,9)10)95-85(93-81)72-44-52-76(53-45-72)89(11,12)13/h14-59H,1-13H3
InChIKeyQPSPXXMIZSBOSS-UHFFFAOYSA-N
MW1252.71 g/mol
LogP23.54
Rot. Bonds15

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

N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline (PubChem CID 76695562) has the molecular formula C89H85N7 and a molecular weight of 1252.71 g/mol. Its IUPAC name is N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline
PubChem CID76695562
Molecular FormulaC89H85N7
Molecular Weight1252.71 g/mol
Exact Mass1251.69
IUPAC NameN,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline
SMILESCc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)cc4)cc3)c3ccc(C=Cc4ccc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C89H85N7/c1-60-14-16-61(17-15-60)18-21-64-28-54-77(55-29-64)96(78-56-30-65(31-57-78)22-19-62-24-34-67(35-25-62)80-90-82(69-38-46-73(47-39-69)86(2,3)4)94-83(91-80)70-40-48-74(49-41-70)87(5,6)7)79-58-32-66(33-59-79)23-20-63-26-36-68(37-27-63)81-92-84(71-42-50-75(51-43-71)88(8,9)10)95-85(93-81)72-44-52-76(53-45-72)89(11,12)13/h14-59H,1-13H3
InChIKeyQPSPXXMIZSBOSS-UHFFFAOYSA-N
XLogP23.54
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001252.71
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline
CID 59838914
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-ol
CID 177431422
4-(4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]anilino)benzenethiol
CID 143060501

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline?
The IUPAC name of N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline (CID 76695562) is N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline?
The canonical SMILES for N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline is Cc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)cc4)cc3)c3ccc(C=Cc4ccc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline?
The InChIKey is QPSPXXMIZSBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H85N7/c1-60-14-16-61(17-15-60)18-21-64-28-54-77(55-29-64)96(78-56-30-65(31-57-78)22-19-62-24-34-67(35-25-62)80-90-82(69-38-46-73(47-39-69)86(2,3)4)94-83(91-80)70-40-48-74(49-41-70)87(5,6)7)79-58-32-66(33-59-79)23-20-63-26-36-68(37-27-63)81-92-84(71-42-50-75(51-43-71)88(8,9)10)95-85(93-81)72-44-52-76(53-45-72)89(11,12)13/h14-59H,1-13H3.
What are the key properties of N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline?
N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline has a molecular weight of 1252.71 g/mol, XLogP of 23.54, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 76695562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).