2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine

C47H29N3O — CID 169278613

IUPAC2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)34-24-27-39(41(28-34)31-14-5-2-6-15-31)46-48-45(35-25-26-38-37-19-9-10-21-42(37)51-43(38)29-35)49-47(50-46)40-20-11-17-33-23-22-32-16-7-8-18-36(32)44(33)40/h1-29H
InChIKeyDJBNTYOKHHPHAO-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine

2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine (PubChem CID 169278613) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine
PubChem CID169278613
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)34-24-27-39(41(28-34)31-14-5-2-6-15-31)46-48-45(35-25-26-38-37-19-9-10-21-42(37)51-43(38)29-35)49-47(50-46)40-20-11-17-33-23-22-32-16-7-8-18-36(32)44(33)40/h1-29H
InChIKeyDJBNTYOKHHPHAO-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

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164798119
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104
2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine
CID 160755193
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(4-phenylphenyl)-4-[6-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]-1,3,5-triazine
CID 139441712

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine (CID 169278613) is 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine?
The InChIKey is DJBNTYOKHHPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-30(13-4-1)34-24-27-39(41(28-34)31-14-5-2-6-15-31)46-48-45(35-25-26-38-37-19-9-10-21-42(37)51-43(38)29-35)49-47(50-46)40-20-11-17-33-23-22-32-16-7-8-18-36(32)44(33)40/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-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-3-yl-4-(2,4-diphenylphenyl)-6-phenanthren-4-yl-1,3,5-triazine is sourced from PubChem (CID 169278613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).