4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C43H29N3O — CID 174327608

IUPAC4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)N=C(c4cc(-c5ccccc5)cc5oc6ccccc6c45)N3)cc2)cc1
InChIInChI=1S/C43H29N3O/c1-3-11-28(12-4-1)31-19-22-32(23-20-31)41-44-42(34-24-21-30-15-7-8-16-33(30)25-34)46-43(45-41)37-26-35(29-13-5-2-6-14-29)27-39-40(37)36-17-9-10-18-38(36)47-39/h1-27,42H,(H,44,45,46)
InChIKeyRDSWNRCCUJEJEF-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.57
Rot. Bonds5

About 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 174327608) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID174327608
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)N=C(c4cc(-c5ccccc5)cc5oc6ccccc6c45)N3)cc2)cc1
InChIInChI=1S/C43H29N3O/c1-3-11-28(12-4-1)31-19-22-32(23-20-31)41-44-42(34-24-21-30-15-7-8-16-33(30)25-34)46-43(45-41)37-26-35(29-13-5-2-6-14-29)27-39-40(37)36-17-9-10-18-38(36)47-39/h1-27,42H,(H,44,45,46)
InChIKeyRDSWNRCCUJEJEF-UHFFFAOYSA-N
XLogP10.57
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
9-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801462
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 174327608) is 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)N=C(c4cc(-c5ccccc5)cc5oc6ccccc6c45)N3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is RDSWNRCCUJEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-11-28(12-4-1)31-19-22-32(23-20-31)41-44-42(34-24-21-30-15-7-8-16-33(30)25-34)46-43(45-41)37-26-35(29-13-5-2-6-14-29)27-39-40(37)36-17-9-10-18-38(36)47-39/h1-27,42H,(H,44,45,46).
What are the key properties of 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 174327608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).