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

C51H27N3O3 — CID 176775487

IUPAC2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
SMILESc1ccc2cc3c(cc2c1)oc1cccc(-c2nc(-c4cc5ccccc5c5oc6ccccc6c45)nc(-c4cc5ccccc5c5oc6ccccc6c45)n2)c13
InChIInChI=1S/C51H27N3O3/c1-2-13-29-27-43-37(24-28(29)12-1)44-36(20-11-23-42(44)55-43)49-52-50(38-25-30-14-3-5-16-32(30)47-45(38)34-18-7-9-21-40(34)56-47)54-51(53-49)39-26-31-15-4-6-17-33(31)48-46(39)35-19-8-10-22-41(35)57-48/h1-27H
InChIKeyUMTPHPWKDKPGRN-UHFFFAOYSA-N
MW729.80 g/mol
LogP14.03
Rot. Bonds3

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

2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine (PubChem CID 176775487) has the molecular formula C51H27N3O3 and a molecular weight of 729.80 g/mol. Its IUPAC name is 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
PubChem CID176775487
Molecular FormulaC51H27N3O3
Molecular Weight729.80 g/mol
Exact Mass729.21
IUPAC Name2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
SMILESc1ccc2cc3c(cc2c1)oc1cccc(-c2nc(-c4cc5ccccc5c5oc6ccccc6c45)nc(-c4cc5ccccc5c5oc6ccccc6c45)n2)c13
InChIInChI=1S/C51H27N3O3/c1-2-13-29-27-43-37(24-28(29)12-1)44-36(20-11-23-42(44)55-43)49-52-50(38-25-30-14-3-5-16-32(30)47-45(38)34-18-7-9-21-40(34)56-47)54-51(53-49)39-26-31-15-4-6-17-33(31)48-46(39)35-19-8-10-22-41(35)57-48/h1-27H
InChIKeyUMTPHPWKDKPGRN-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-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
CID 163996884
2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775561
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 163440305
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
The IUPAC name of 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine (CID 176775487) is 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine is c1ccc2cc3c(cc2c1)oc1cccc(-c2nc(-c4cc5ccccc5c5oc6ccccc6c45)nc(-c4cc5ccccc5c5oc6ccccc6c45)n2)c13.
What is the InChIKey of 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
The InChIKey is UMTPHPWKDKPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27N3O3/c1-2-13-29-27-43-37(24-28(29)12-1)44-36(20-11-23-42(44)55-43)49-52-50(38-25-30-14-3-5-16-32(30)47-45(38)34-18-7-9-21-40(34)56-47)54-51(53-49)39-26-31-15-4-6-17-33(31)48-46(39)35-19-8-10-22-41(35)57-48/h1-27H.
What are the key properties of 2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
2,4-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-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-bis(naphtho[1,2-b][1]benzofuran-6-yl)-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine is sourced from PubChem (CID 176775487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).