2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine

C47H29N3O — CID 171757245

IUPAC2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)c4oc5ccc6ccccc6c5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-32(15-4-1)45-48-46(33-16-5-2-6-17-33)50-47(49-45)40-26-25-39(44-43(40)42-38-21-10-9-13-31(38)24-27-41(42)51-44)37-20-11-19-35(29-37)36-23-22-30-12-7-8-18-34(30)28-36/h1-29H
InChIKeyBODVUQTWBUEABB-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 171757245) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID171757245
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)c4oc5ccc6ccccc6c5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-32(15-4-1)45-48-46(33-16-5-2-6-17-33)50-47(49-45)40-26-25-39(44-43(40)42-38-21-10-9-13-31(38)24-27-41(42)51-44)37-20-11-19-35(29-37)36-23-22-30-12-7-8-18-34(30)28-36/h1-29H
InChIKeyBODVUQTWBUEABB-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 166867385
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-[3-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139576754
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-naphthalen-2-yl-4-[4-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(7-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163770991
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine (CID 171757245) is 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)c4oc5ccc6ccccc6c5c34)n2)cc1.
What is the InChIKey of 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BODVUQTWBUEABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-32(15-4-1)45-48-46(33-16-5-2-6-17-33)50-47(49-45)40-26-25-39(44-43(40)42-38-21-10-9-13-31(38)24-27-41(42)51-44)37-20-11-19-35(29-37)36-23-22-30-12-7-8-18-34(30)28-36/h1-29H.
What are the key properties of 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171757245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).