4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine

C49H33N3O — CID 167029970

IUPAC4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7ccccc7c6)cc5c34)N=C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)42-16-9-17-45-46(42)43-31-41(28-29-44(43)53-45)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,49H,(H,50,51,52)
InChIKeyFCVQUXHNKNQBSU-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.24
Rot. Bonds6

About 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine

4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine (PubChem CID 167029970) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
PubChem CID167029970
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7ccccc7c6)cc5c34)N=C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)42-16-9-17-45-46(42)43-31-41(28-29-44(43)53-45)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,49H,(H,50,51,52)
InChIKeyFCVQUXHNKNQBSU-UHFFFAOYSA-N
XLogP12.24
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156553938
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030224
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928

Frequently Asked Questions

What is the IUPAC name of 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine (CID 167029970) is 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7ccccc7c6)cc5c34)N=C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)N2)cc1.
What is the InChIKey of 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is FCVQUXHNKNQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)42-16-9-17-45-46(42)43-31-41(28-29-44(43)53-45)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,49H,(H,50,51,52).
What are the key properties of 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).