N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline

C51H39N5 — CID 144687013

IUPACN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)C=C1
InChIInChI=1S/C51H39N5/c1-6-16-38(17-7-1)39-26-28-40(29-27-39)49-52-50(41-30-34-47(35-31-41)55(43-18-8-2-9-19-43)44-20-10-3-11-21-44)54-51(53-49)42-32-36-48(37-33-42)56(45-22-12-4-13-23-45)46-24-14-5-15-25-46/h1-24,26-37,46H,25H2
InChIKeyZXKUPWZSIJAFAY-UHFFFAOYSA-N
MW721.91 g/mol
LogP13.03
Rot. Bonds10

About N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline

N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline (PubChem CID 144687013) has the molecular formula C51H39N5 and a molecular weight of 721.91 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
PubChem CID144687013
Molecular FormulaC51H39N5
Molecular Weight721.91 g/mol
Exact Mass721.32
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)C=C1
InChIInChI=1S/C51H39N5/c1-6-16-38(17-7-1)39-26-28-40(29-27-39)49-52-50(41-30-34-47(35-31-41)55(43-18-8-2-9-19-43)44-20-10-3-11-21-44)54-51(53-49)42-32-36-48(37-33-42)56(45-22-12-4-13-23-45)46-24-14-5-15-25-46/h1-24,26-37,46H,25H2
InChIKeyZXKUPWZSIJAFAY-UHFFFAOYSA-N
XLogP13.03
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.91
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
CID 90070851
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
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[10-[4-(N-phenylanilino)phenyl]-3,4-dihydroanthracen-9-yl]aniline
CID 71012747
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
6-N-cyclohexa-2,4-dien-1-yl-9,10-di(phenanthren-2-yl)-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89049797
4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 146269861
N-cyclohexa-2,4-dien-1-yl-N-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 166978725
N-cyclohexa-2,4-dien-1-yl-4-[27-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-18-[4-(N-phenylanilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]-N-phenylaniline
CID 131994501
4-[4-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-10-phenanthren-9-yl-3-phenyltriphenylen-1-yl]-N,N-diphenylaniline
CID 89083595
N-cyclohexa-2,4-dien-1-yl-N-[4-(4-methylphenyl)phenyl]-3-triphenylen-2-ylaniline;ethane;2-(3-methylphenyl)triphenylene;toluene
CID 145321587
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline (CID 144687013) is N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline is C1=CCC(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The InChIKey is ZXKUPWZSIJAFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N5/c1-6-16-38(17-7-1)39-26-28-40(29-27-39)49-52-50(41-30-34-47(35-31-41)55(43-18-8-2-9-19-43)44-20-10-3-11-21-44)54-51(53-49)42-32-36-48(37-33-42)56(45-22-12-4-13-23-45)46-24-14-5-15-25-46/h1-24,26-37,46H,25H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 721.91 g/mol, XLogP of 13.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 144687013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).