2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine

C47H29N3O — CID 155481342

IUPAC2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3c(-c4ccc5ccccc5c4)ccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-14-31(15-3-1)35-18-8-9-21-40(35)45-48-46(41-23-12-22-39-38-20-10-11-24-42(38)51-44(39)41)50-47(49-45)43-36-19-7-6-16-32(36)27-28-37(43)34-26-25-30-13-4-5-17-33(30)29-34/h1-29H
InChIKeyMQWKZDOGKDUDJT-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 155481342) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID155481342
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3c(-c4ccc5ccccc5c4)ccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-14-31(15-3-1)35-18-8-9-21-40(35)45-48-46(41-23-12-22-39-38-20-10-11-24-42(38)51-44(39)41)50-47(49-45)43-36-19-7-6-16-32(36)27-28-37(43)34-26-25-30-13-4-5-17-33(30)29-34/h1-29H
InChIKeyMQWKZDOGKDUDJT-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-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155764013
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481198
2-dibenzofuran-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481167
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481192
2-dibenzofuran-4-yl-4-[2-[3-[4-[4-dibenzofuran-4-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylnaphthalen-1-yl]phenyl]naphthalen-1-yl]-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481155
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545450

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 155481342) is 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3c(-c4ccc5ccccc5c4)ccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is MQWKZDOGKDUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-14-31(15-3-1)35-18-8-9-21-40(35)45-48-46(41-23-12-22-39-38-20-10-11-24-42(38)51-44(39)41)50-47(49-45)43-36-19-7-6-16-32(36)27-28-37(43)34-26-25-30-13-4-5-17-33(30)29-34/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-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-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155481342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).