2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine

C53H31N3O2 — CID 146631342

IUPAC2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc3c2oc2c(-c4cccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc45)cccc23)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-33(13-3-1)40-17-9-20-45-46-21-10-19-44(50(46)58-49(40)45)41-18-8-15-35-30-37(25-27-39(35)41)52-54-51(36-24-23-32-11-4-5-14-34(32)29-36)55-53(56-52)38-26-28-43-42-16-6-7-22-47(42)57-48(43)31-38/h1-31H
InChIKeyPOGJCCNKDVURNH-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 146631342) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID146631342
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc3c2oc2c(-c4cccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc45)cccc23)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-33(13-3-1)40-17-9-20-45-46-21-10-19-44(50(46)58-49(40)45)41-18-8-15-35-30-37(25-27-39(35)41)52-54-51(36-24-23-32-11-4-5-14-34(32)29-36)55-53(56-52)38-26-28-43-42-16-6-7-22-47(42)57-48(43)31-38/h1-31H
InChIKeyPOGJCCNKDVURNH-UHFFFAOYSA-N
XLogP14.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-(4-naphthalen-2-ylphenyl)-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213977
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 158286962
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244681
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine (CID 146631342) is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2cccc3c2oc2c(-c4cccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc45)cccc23)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is POGJCCNKDVURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-2-12-33(13-3-1)40-17-9-20-45-46-21-10-19-44(50(46)58-49(40)45)41-18-8-15-35-30-37(25-27-39(35)41)52-54-51(36-24-23-32-11-4-5-14-34(32)29-36)55-53(56-52)38-26-28-43-42-16-6-7-22-47(42)57-48(43)31-38/h1-31H.
What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 146631342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).