2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C49H31N3O — CID 177130823

IUPAC2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cc6ccccc6c(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-12-32(13-5-1)34-20-24-37(25-21-34)47-50-48(38-26-22-35(23-27-38)33-14-6-2-7-15-33)52-49(51-47)40-28-29-42-43(31-40)53-44-30-39-18-10-11-19-41(39)45(46(42)44)36-16-8-3-9-17-36/h1-31H
InChIKeyLFDJRNTVHROTJR-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 177130823) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID177130823
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cc6ccccc6c(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-12-32(13-5-1)34-20-24-37(25-21-34)47-50-48(38-26-22-35(23-27-38)33-14-6-2-7-15-33)52-49(51-47)40-28-29-42-43(31-40)53-44-30-39-18-10-11-19-41(39)45(46(42)44)36-16-8-3-9-17-36/h1-31H
InChIKeyLFDJRNTVHROTJR-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 177130877
2-naphthalen-2-yl-4-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130712
2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743004
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
CID 171730912
2,4-diphenyl-6-[4-(7-triphenylen-2-yldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 148954728
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147818136

Frequently Asked Questions

What is the IUPAC name of 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 177130823) is 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cc6ccccc6c(-c6ccccc6)c45)n3)cc2)cc1.
What is the InChIKey of 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LFDJRNTVHROTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-12-32(13-5-1)34-20-24-37(25-21-34)47-50-48(38-26-22-35(23-27-38)33-14-6-2-7-15-33)52-49(51-47)40-28-29-42-43(31-40)53-44-30-39-18-10-11-19-41(39)45(46(42)44)36-16-8-3-9-17-36/h1-31H.
What are the key properties of 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177130823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).