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

C51H29N3O2 — CID 170017177

IUPAC2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)nc(-c4cccc5oc6cc7ccccc7cc6c45)n3)ccc2c1
InChIInChI=1S/C51H29N3O2/c1-2-12-31-27-34(24-23-30(31)11-1)49-52-50(54-51(53-49)41-19-10-22-45-48(41)42-28-32-13-3-4-14-33(32)29-46(42)56-45)39-26-25-37(35-15-5-6-16-36(35)39)38-18-9-21-44-47(38)40-17-7-8-20-43(40)55-44/h1-29H
InChIKeySYYCWXCHIFFRQN-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

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

2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine (PubChem CID 170017177) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
PubChem CID170017177
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)nc(-c4cccc5oc6cc7ccccc7cc6c45)n3)ccc2c1
InChIInChI=1S/C51H29N3O2/c1-2-12-31-27-34(24-23-30(31)11-1)49-52-50(54-51(53-49)41-19-10-22-45-48(41)42-28-32-13-3-4-14-33(32)29-46(42)56-45)39-26-25-37(35-15-5-6-16-36(35)39)38-18-9-21-44-47(38)40-17-7-8-20-43(40)55-44/h1-29H
InChIKeySYYCWXCHIFFRQN-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

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198497
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298
2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenanthren-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 163884211
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen
CID 163951650

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
The IUPAC name of 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) is 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)nc(-c4cccc5oc6cc7ccccc7cc6c45)n3)ccc2c1.
What is the InChIKey of 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
The InChIKey is SYYCWXCHIFFRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-12-31-27-34(24-23-30(31)11-1)49-52-50(54-51(53-49)41-19-10-22-45-48(41)42-28-32-13-3-4-14-33(32)29-46(42)56-45)39-26-25-37(35-15-5-6-16-36(35)39)38-18-9-21-44-47(38)40-17-7-8-20-43(40)55-44/h1-29H.
What are the key properties of 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine?
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-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-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine is sourced from PubChem (CID 170017177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).