2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine

C27H21N3 — CID 142451993

IUPAC2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3ncnc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=CCC1
InChIInChI=1S/C27H21N3/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-28-19-29-27(30-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1,3-5,7-19H,2,6H2
InChIKeyWTZGDSRRRXSGDB-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.61
Rot. Bonds4

About 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 142451993) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
PubChem CID142451993
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3ncnc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=CCC1
InChIInChI=1S/C27H21N3/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-28-19-29-27(30-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1,3-5,7-19H,2,6H2
InChIKeyWTZGDSRRRXSGDB-UHFFFAOYSA-N
XLogP6.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
2-[1-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)-5-(3-phenylphenyl)phenyl]ethenyl]-4,6-diphenyl-1,3,5-triazine
CID 89110285
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 130178259

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine (CID 142451993) is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine is C1=CC(c2ccc(-c3ncnc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=CCC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is WTZGDSRRRXSGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-28-19-29-27(30-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1,3-5,7-19H,2,6H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine?
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 387.49 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 142451993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).