2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol

C27H21N3O — CID 140983692

IUPAC2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(C2(c3ccccc3)C=CC=CC2)n1
InChIInChI=1S/C27H21N3O/c31-23-17-9-8-16-22(23)25-28-24(20-12-4-1-5-13-20)29-26(30-25)27(18-10-3-11-19-27)21-14-6-2-7-15-21/h1-18,31H,19H2
InChIKeyZHBBSCWXNSYNSL-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.71
Rot. Bonds4

About 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol

2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol (PubChem CID 140983692) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol
PubChem CID140983692
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC Name2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(C2(c3ccccc3)C=CC=CC2)n1
InChIInChI=1S/C27H21N3O/c31-23-17-9-8-16-22(23)25-28-24(20-12-4-1-5-13-20)29-26(30-25)27(18-10-3-11-19-27)21-14-6-2-7-15-21/h1-18,31H,19H2
InChIKeyZHBBSCWXNSYNSL-UHFFFAOYSA-N
XLogP5.71
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol with MolForge

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Related Compounds

4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 175202932
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 137091225
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 172831162
[2-(1-phenylcyclohexa-2,4-dien-1-yl)phenyl]methanol
CID 155775169
2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
CID 136621403
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
CID 143193670
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 155281474
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177312540

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol (CID 140983692) is 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccccc2)nc(C2(c3ccccc3)C=CC=CC2)n1.
What is the InChIKey of 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is ZHBBSCWXNSYNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O/c31-23-17-9-8-16-22(23)25-28-24(20-12-4-1-5-13-20)29-26(30-25)27(18-10-3-11-19-27)21-14-6-2-7-15-21/h1-18,31H,19H2.
What are the key properties of 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol?
2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 403.49 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 140983692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).