2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine

C41H25N3O — CID 176616855

IUPAC2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc23)cc1
InChIInChI=1S/C41H25N3O/c1-2-8-26(9-3-1)31-18-20-35-36-24-34(19-21-37(36)45-38(35)25-31)41-43-39(32-16-14-27-10-4-6-12-29(27)22-32)42-40(44-41)33-17-15-28-11-5-7-13-30(28)23-33/h1-25H
InChIKeyCSXZHTNTLZDRMU-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 176616855) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID176616855
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc23)cc1
InChIInChI=1S/C41H25N3O/c1-2-8-26(9-3-1)31-18-20-35-36-24-34(19-21-37(36)45-38(35)25-31)41-43-39(32-16-14-27-10-4-6-12-29(27)22-32)42-40(44-41)33-17-15-28-11-5-7-13-30(28)23-33/h1-25H
InChIKeyCSXZHTNTLZDRMU-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine (CID 176616855) is 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is CSXZHTNTLZDRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-8-26(9-3-1)31-18-20-35-36-24-34(19-21-37(36)45-38(35)25-31)41-43-39(32-16-14-27-10-4-6-12-29(27)22-32)42-40(44-41)33-17-15-28-11-5-7-13-30(28)23-33/h1-25H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 176616855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).