4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C45H29N3OS — CID 170187141

IUPAC4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4cccc5c4oc4ccccc45)N=C(c4cccc5sc6cccc(-c7ccccc7)c6c45)N3)cc2)cc1
InChIInChI=1S/C45H29N3OS/c1-3-12-28(13-4-1)29-24-26-31(27-25-29)43-46-44(48-45(47-43)36-20-9-18-34-33-16-7-8-21-37(33)49-42(34)36)35-19-11-23-39-41(35)40-32(17-10-22-38(40)50-39)30-14-5-2-6-15-30/h1-27,45H,(H,46,47,48)
InChIKeyPRSGPPRQGWSKQE-UHFFFAOYSA-N
MW659.81 g/mol
LogP11.78
Rot. Bonds5

About 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170187141) has the molecular formula C45H29N3OS and a molecular weight of 659.81 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID170187141
Molecular FormulaC45H29N3OS
Molecular Weight659.81 g/mol
Exact Mass659.20
IUPAC Name4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4cccc5c4oc4ccccc45)N=C(c4cccc5sc6cccc(-c7ccccc7)c6c45)N3)cc2)cc1
InChIInChI=1S/C45H29N3OS/c1-3-12-28(13-4-1)29-24-26-31(27-25-29)43-46-44(48-45(47-43)36-20-9-18-34-33-16-7-8-21-37(33)49-42(34)36)35-19-11-23-39-41(35)40-32(17-10-22-38(40)50-39)30-14-5-2-6-15-30/h1-27,45H,(H,46,47,48)
InChIKeyPRSGPPRQGWSKQE-UHFFFAOYSA-N
XLogP11.78
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.81
LogP ≤ 511.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167143613
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170187158
2-dibenzothiophen-2-yl-4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 123716459
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170423789
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029876
2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole
CID 146513508
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 170187141) is 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4cccc5c4oc4ccccc45)N=C(c4cccc5sc6cccc(-c7ccccc7)c6c45)N3)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is PRSGPPRQGWSKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3OS/c1-3-12-28(13-4-1)29-24-26-31(27-25-29)43-46-44(48-45(47-43)36-20-9-18-34-33-16-7-8-21-37(33)49-42(34)36)35-19-11-23-39-41(35)40-32(17-10-22-38(40)50-39)30-14-5-2-6-15-30/h1-27,45H,(H,46,47,48).
What are the key properties of 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 659.81 g/mol, XLogP of 11.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170187141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).