2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine

C43H35N3O — CID 177112962

IUPAC2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C43H35N3O/c1-2-7-30(8-3-1)31-13-15-32(16-14-31)40-44-41(33-17-19-34(20-18-33)43-24-27-21-28(25-43)23-29(22-27)26-43)46-42(45-40)36-10-6-12-38-39(36)35-9-4-5-11-37(35)47-38/h1-20,27-29H,21-26H2
InChIKeyJWUBYHZDLYSIKV-UHFFFAOYSA-N
MW609.77 g/mol
LogP10.91
Rot. Bonds5

About 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 177112962) has the molecular formula C43H35N3O and a molecular weight of 609.77 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID177112962
Molecular FormulaC43H35N3O
Molecular Weight609.77 g/mol
Exact Mass609.28
IUPAC Name2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C43H35N3O/c1-2-7-30(8-3-1)31-13-15-32(16-14-31)40-44-41(33-17-19-34(20-18-33)43-24-27-21-28(25-43)23-29(22-27)26-43)46-42(45-40)36-10-6-12-38-39(36)35-9-4-5-11-37(35)47-38/h1-20,27-29H,21-26H2
InChIKeyJWUBYHZDLYSIKV-UHFFFAOYSA-N
XLogP10.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-adamantyl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798019
2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine
CID 169054912
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
4-[4-[4-(1-adamantyl)phenyl]phenyl]-6-dibenzofuran-1-yl-2-dibenzofuran-3-ylpyrimidine
CID 169054834
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
4-[4-[3-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174078669
2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169055032
2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole
CID 169055103
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 177112962) is 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is JWUBYHZDLYSIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3O/c1-2-7-30(8-3-1)31-13-15-32(16-14-31)40-44-41(33-17-19-34(20-18-33)43-24-27-21-28(25-43)23-29(22-27)26-43)46-42(45-40)36-10-6-12-38-39(36)35-9-4-5-11-37(35)47-38/h1-20,27-29H,21-26H2.
What are the key properties of 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 609.77 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177112962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).