2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

C51H29N3O2 — CID 170926832

IUPAC2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5c34)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-12-33(13-3-1)49-52-50(35-23-22-32-21-20-30-10-4-6-14-36(30)41(32)29-35)54-51(53-49)40-17-9-18-44-47(40)42-28-34(25-27-43(42)55-44)37-16-8-19-45-46(37)39-26-24-31-11-5-7-15-38(31)48(39)56-45/h1-29H
InChIKeyZUQHMBRSECQSSW-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

About 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 170926832) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
PubChem CID170926832
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5c34)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-12-33(13-3-1)49-52-50(35-23-22-32-21-20-30-10-4-6-14-36(30)41(32)29-35)54-51(53-49)40-17-9-18-44-47(40)42-28-34(25-27-43(42)55-44)37-16-8-19-45-46(37)39-26-24-31-11-5-7-15-38(31)48(39)56-45/h1-29H
InChIKeyZUQHMBRSECQSSW-UHFFFAOYSA-N
XLogP13.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.81
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166743660
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 171399233
2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155470913
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166743657
2-chrysen-3-yl-4-phenyl-6-[7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817888
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491

Frequently Asked Questions

What is the IUPAC name of 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (CID 170926832) is 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5c34)n2)cc1.
What is the InChIKey of 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is ZUQHMBRSECQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-12-33(13-3-1)49-52-50(35-23-22-32-21-20-30-10-4-6-14-36(30)41(32)29-35)54-51(53-49)40-17-9-18-44-47(40)42-28-34(25-27-43(42)55-44)37-16-8-19-45-46(37)39-26-24-31-11-5-7-15-38(31)48(39)56-45/h1-29H.
What are the key properties of 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170926832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).