6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine

C45H29N3O — CID 163769407

IUPAC6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)=N2)cc1
InChIInChI=1S/C45H29N3O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)42-35-21-11-9-19-33(35)41(34-20-10-12-22-36(34)42)32-23-24-39-37(26-32)38-25-30-17-7-8-18-31(30)27-40(38)49-39/h1-27,43H,(H,46,47,48)
InChIKeyMFCYBYZZTKAFNI-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.21
Rot. Bonds4

About 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine

6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 163769407) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID163769407
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)=N2)cc1
InChIInChI=1S/C45H29N3O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)42-35-21-11-9-19-33(35)41(34-20-10-12-22-36(34)42)32-23-24-39-37(26-32)38-25-30-17-7-8-18-31(30)27-40(38)49-39/h1-27,43H,(H,46,47,48)
InChIKeyMFCYBYZZTKAFNI-UHFFFAOYSA-N
XLogP11.21
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030408
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
CID 165025337
CID 165025337
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008301

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (CID 163769407) is 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)=N2)cc1.
What is the InChIKey of 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is MFCYBYZZTKAFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)42-35-21-11-9-19-33(35)41(34-20-10-12-22-36(34)42)32-23-24-39-37(26-32)38-25-30-17-7-8-18-31(30)27-40(38)49-39/h1-27,43H,(H,46,47,48).
What are the key properties of 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 163769407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).