2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine

C51H27N3O3 — CID 146658795

IUPAC2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3cccc4ccc5c6ccccc6oc5c34)nc(-c3cccc4ccc5c6ccccc6oc5c34)n2)c2c(c1)ccc1c3ccccc3oc12
InChIInChI=1S/C51H27N3O3/c1-4-19-40-31(13-1)34-25-22-28-10-7-16-37(43(28)46(34)55-40)49-52-50(38-17-8-11-29-23-26-35-32-14-2-5-20-41(32)56-47(35)44(29)38)54-51(53-49)39-18-9-12-30-24-27-36-33-15-3-6-21-42(33)57-48(36)45(30)39/h1-27H
InChIKeyRVVKQDRBUCHDDP-UHFFFAOYSA-N
MW729.80 g/mol
LogP14.03
Rot. Bonds3

About 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine

2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine (PubChem CID 146658795) has the molecular formula C51H27N3O3 and a molecular weight of 729.80 g/mol. Its IUPAC name is 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
PubChem CID146658795
Molecular FormulaC51H27N3O3
Molecular Weight729.80 g/mol
Exact Mass729.21
IUPAC Name2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3cccc4ccc5c6ccccc6oc5c34)nc(-c3cccc4ccc5c6ccccc6oc5c34)n2)c2c(c1)ccc1c3ccccc3oc12
InChIInChI=1S/C51H27N3O3/c1-4-19-40-31(13-1)34-25-22-28-10-7-16-37(43(28)46(34)55-40)49-52-50(38-17-8-11-29-23-26-35-32-14-2-5-20-41(32)56-47(35)44(29)38)54-51(53-49)39-18-9-12-30-24-27-36-33-15-3-6-21-42(33)57-48(36)45(30)39/h1-27H
InChIKeyRVVKQDRBUCHDDP-UHFFFAOYSA-N
XLogP14.03
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.80
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169048923
2-dibenzofuran-1-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-8-yl)-6-phenyl-1,3,5-triazine
CID 166848478
5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278618
2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278746
2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278749
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine (CID 146658795) is 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine is c1cc(-c2nc(-c3cccc4ccc5c6ccccc6oc5c34)nc(-c3cccc4ccc5c6ccccc6oc5c34)n2)c2c(c1)ccc1c3ccccc3oc12.
What is the InChIKey of 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine?
The InChIKey is RVVKQDRBUCHDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27N3O3/c1-4-19-40-31(13-1)34-25-22-28-10-7-16-37(43(28)46(34)55-40)49-52-50(38-17-8-11-29-23-26-35-32-14-2-5-20-41(32)56-47(35)44(29)38)54-51(53-49)39-18-9-12-30-24-27-36-33-15-3-6-21-42(33)57-48(36)45(30)39/h1-27H.
What are the key properties of 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine?
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine has a molecular weight of 729.80 g/mol, XLogP of 14.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 146658795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).