2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine

C57H33N3O2 — CID 168844978

IUPAC2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
SMILESc1cc(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4ccc5oc6ccccc6c5c4c3)n2)c1
InChIInChI=1S/C57H33N3O2/c1-2-9-37-28-39(20-16-34(37)8-1)41-22-18-35-17-21-40(30-45(35)31-41)38-10-7-11-42(29-38)55-58-56(60-57(59-55)44-25-26-52-49(33-44)46-12-3-5-14-50(46)61-52)43-23-19-36-24-27-53-54(48(36)32-43)47-13-4-6-15-51(47)62-53/h1-33H
InChIKeyGONRRSOYCUHMSZ-UHFFFAOYSA-N
MW791.91 g/mol
LogP15.47
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine

2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine (PubChem CID 168844978) has the molecular formula C57H33N3O2 and a molecular weight of 791.91 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
PubChem CID168844978
Molecular FormulaC57H33N3O2
Molecular Weight791.91 g/mol
Exact Mass791.26
IUPAC Name2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
SMILESc1cc(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4ccc5oc6ccccc6c5c4c3)n2)c1
InChIInChI=1S/C57H33N3O2/c1-2-9-37-28-39(20-16-34(37)8-1)41-22-18-35-17-21-40(30-45(35)31-41)38-10-7-11-42(29-38)55-58-56(60-57(59-55)44-25-26-52-49(33-44)46-12-3-5-14-50(46)61-52)43-23-19-36-24-27-53-54(48(36)32-43)47-13-4-6-15-51(47)62-53/h1-33H
InChIKeyGONRRSOYCUHMSZ-UHFFFAOYSA-N
XLogP15.47
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.91
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
2,4-dinaphthalen-2-yl-6-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159361487
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine (CID 168844978) is 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine is c1cc(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4ccc5oc6ccccc6c5c4c3)n2)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?
The InChIKey is GONRRSOYCUHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2/c1-2-9-37-28-39(20-16-34(37)8-1)41-22-18-35-17-21-40(30-45(35)31-41)38-10-7-11-42(29-38)55-58-56(60-57(59-55)44-25-26-52-49(33-44)46-12-3-5-14-50(46)61-52)43-23-19-36-24-27-53-54(48(36)32-43)47-13-4-6-15-51(47)62-53/h1-33H.
What are the key properties of 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine has a molecular weight of 791.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine is sourced from PubChem (CID 168844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).