4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C51H37N3O — CID 134199439

IUPAC4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC(c2ccc3oc4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)c4c3c2)=C1
InChIInChI=1S/C51H37N3O/c1-5-15-34(16-6-1)41-30-42(35-17-7-2-8-18-35)32-43(31-41)39-24-13-23-38(29-39)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37/h1-28,30-33,39,51H,29H2,(H,52,53,54)
InChIKeyCBNUXHJNYOARKY-UHFFFAOYSA-N
MW707.88 g/mol
LogP12.54
Rot. Bonds7

About 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 134199439) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID134199439
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC(c2ccc3oc4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)c4c3c2)=C1
InChIInChI=1S/C51H37N3O/c1-5-15-34(16-6-1)41-30-42(35-17-7-2-8-18-35)32-43(31-41)39-24-13-23-38(29-39)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37/h1-28,30-33,39,51H,29H2,(H,52,53,54)
InChIKeyCBNUXHJNYOARKY-UHFFFAOYSA-N
XLogP12.54
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 512.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 123469050
4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 123180440
3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
CID 123172924
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735

Frequently Asked Questions

What is the IUPAC name of 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 134199439) is 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is C1=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC(c2ccc3oc4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)c4c3c2)=C1.
What is the InChIKey of 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is CBNUXHJNYOARKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-5-15-34(16-6-1)41-30-42(35-17-7-2-8-18-35)32-43(31-41)39-24-13-23-38(29-39)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37/h1-28,30-33,39,51H,29H2,(H,52,53,54).
What are the key properties of 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 707.88 g/mol, XLogP of 12.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 134199439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).