2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C59H48N6 — CID 163895787

IUPAC2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCCC(CC)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)C1C=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=CC1
InChIInChI=1S/C59H48N6/c1-3-59(4-2,51-37-33-49(34-38-51)57-62-53(45-21-13-7-14-22-45)60-55(64-57)47-29-25-43(26-30-47)41-17-9-5-10-18-41)52-39-35-50(36-40-52)58-63-54(46-23-15-8-16-24-46)61-56(65-58)48-31-27-44(28-32-48)42-19-11-6-12-20-42/h5-39,52H,3-4,40H2,1-2H3
InChIKeyQFLYAXFEBJWHSW-UHFFFAOYSA-N
MW841.08 g/mol
LogP14.44
Rot. Bonds12

About 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163895787) has the molecular formula C59H48N6 and a molecular weight of 841.08 g/mol. Its IUPAC name is 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID163895787
Molecular FormulaC59H48N6
Molecular Weight841.08 g/mol
Exact Mass840.39
IUPAC Name2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCCC(CC)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)C1C=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=CC1
InChIInChI=1S/C59H48N6/c1-3-59(4-2,51-37-33-49(34-38-51)57-62-53(45-21-13-7-14-22-45)60-55(64-57)47-29-25-43(26-30-47)41-17-9-5-10-18-41)52-39-35-50(36-40-52)58-63-54(46-23-15-8-16-24-46)61-56(65-58)48-31-27-44(28-32-48)42-19-11-6-12-20-42/h5-39,52H,3-4,40H2,1-2H3
InChIKeyQFLYAXFEBJWHSW-UHFFFAOYSA-N
XLogP14.44
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.08
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]pentan-3-yl]phenyl]pyrimidine
CID 146384972
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[4-[4-(3-phenylphenyl)phenyl]heptan-4-yl]phenyl]-1,3,5-triazine
CID 146384916
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
5-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-methyl-4-phenyl-3-[(4-phenylphenyl)methyl]-3H-1,2,4-triazole
CID 137427931
2-cyclohexa-1,5-dien-1-yl-4-[4-[3-[4-(5,6-dihydronaphthalen-2-yl)phenyl]pentan-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384673
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
1-(2,4,4-trimethylpentan-2-yl)-4-[3-[4-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]phenyl]benzene
CID 144946836
4-(4-chlorocyclohexa-1,5-dien-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146352346
6-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]methyl]phenyl]phenanthridine
CID 163873114
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(9-methyldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
CID 142519305

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 163895787) is 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CCC(CC)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)C1C=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=CC1.
What is the InChIKey of 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is QFLYAXFEBJWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N6/c1-3-59(4-2,51-37-33-49(34-38-51)57-62-53(45-21-13-7-14-22-45)60-55(64-57)47-29-25-43(26-30-47)41-17-9-5-10-18-41)52-39-35-50(36-40-52)58-63-54(46-23-15-8-16-24-46)61-56(65-58)48-31-27-44(28-32-48)42-19-11-6-12-20-42/h5-39,52H,3-4,40H2,1-2H3.
What are the key properties of 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 841.08 g/mol, XLogP of 14.44, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163895787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).