2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

C53H35N3O — CID 142515649

IUPAC2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)CCC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)cc4c23)n1
InChIInChI=1S/C53H35N3O/c1-3-13-34(14-4-1)40-21-11-22-43(31-40)52-54-51(37-17-5-2-6-18-37)55-53(56-52)45-23-12-24-48-49(45)47-33-44(41-27-25-35-15-7-9-19-38(35)29-41)32-46(50(47)57-48)42-28-26-36-16-8-10-20-39(36)30-42/h1-10,12-20,22-33H,11,21H2
InChIKeyHKDOYJRKROOMAR-UHFFFAOYSA-N
MW729.88 g/mol
LogP14.01
Rot. Bonds6

About 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (PubChem CID 142515649) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
PubChem CID142515649
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)CCC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)cc4c23)n1
InChIInChI=1S/C53H35N3O/c1-3-13-34(14-4-1)40-21-11-22-43(31-40)52-54-51(37-17-5-2-6-18-37)55-53(56-52)45-23-12-24-48-49(45)47-33-44(41-27-25-35-15-7-9-19-38(35)29-41)32-46(50(47)57-48)42-28-26-36-16-8-10-20-39(36)30-42/h1-10,12-20,22-33H,11,21H2
InChIKeyHKDOYJRKROOMAR-UHFFFAOYSA-N
XLogP14.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496577
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159639509
2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496724
2-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708
2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424184
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 157305772
2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167113591
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (CID 142515649) is 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is C1=C(c2ccccc2)CCC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)cc4c23)n1.
What is the InChIKey of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The InChIKey is HKDOYJRKROOMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-3-13-34(14-4-1)40-21-11-22-43(31-40)52-54-51(37-17-5-2-6-18-37)55-53(56-52)45-23-12-24-48-49(45)47-33-44(41-27-25-35-15-7-9-19-38(35)29-41)32-46(50(47)57-48)42-28-26-36-16-8-10-20-39(36)30-42/h1-10,12-20,22-33H,11,21H2.
What are the key properties of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine has a molecular weight of 729.88 g/mol, XLogP of 14.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 142515649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).