5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole

C55H34N4OS — CID 166699662

IUPAC5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(C3=NC(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)=NC(c4cccc5c4sc4ccccc45)N3)c2)cc1
InChIInChI=1S/C55H34N4OS/c1-2-14-33(15-3-1)34-18-12-19-37(28-34)53-56-54(58-55(57-53)43-24-13-23-42-41-22-8-11-27-50(41)61-52(42)43)38-30-45-40-21-7-10-26-49(40)60-51(45)48(32-38)59-46-25-9-6-20-39(46)44-29-35-16-4-5-17-36(35)31-47(44)59/h1-32,55H,(H,56,57,58)
InChIKeyNEKKFOYKRSBMDR-UHFFFAOYSA-N
MW798.97 g/mol
LogP14.37
Rot. Bonds5

About 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole

5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 166699662) has the molecular formula C55H34N4OS and a molecular weight of 798.97 g/mol. Its IUPAC name is 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID166699662
Molecular FormulaC55H34N4OS
Molecular Weight798.97 g/mol
Exact Mass798.25
IUPAC Name5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(C3=NC(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)=NC(c4cccc5c4sc4ccccc45)N3)c2)cc1
InChIInChI=1S/C55H34N4OS/c1-2-14-33(15-3-1)34-18-12-19-37(28-34)53-56-54(58-55(57-53)43-24-13-23-42-41-22-8-11-27-50(41)61-52(42)43)38-30-45-40-21-7-10-26-49(40)60-51(45)48(32-38)59-46-25-9-6-20-39(46)44-29-35-16-4-5-17-36(35)31-47(44)59/h1-32,55H,(H,56,57,58)
InChIKeyNEKKFOYKRSBMDR-UHFFFAOYSA-N
XLogP14.37
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.97
LogP ≤ 514.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[2-[2-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699531
5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699320
5-[2-[2,6-di(dibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 166699519
5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699207
5-[2-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699435
5-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[2-(2-naphthalen-2-yl-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166700313
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
CID 166915900
5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699128
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 146395683
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 166699662) is 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2cccc(C3=NC(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)=NC(c4cccc5c4sc4ccccc45)N3)c2)cc1.
What is the InChIKey of 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is NEKKFOYKRSBMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4OS/c1-2-14-33(15-3-1)34-18-12-19-37(28-34)53-56-54(58-55(57-53)43-24-13-23-42-41-22-8-11-27-50(41)61-52(42)43)38-30-45-40-21-7-10-26-49(40)60-51(45)48(32-38)59-46-25-9-6-20-39(46)44-29-35-16-4-5-17-36(35)31-47(44)59/h1-32,55H,(H,56,57,58).
What are the key properties of 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 798.97 g/mol, XLogP of 14.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 166699662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).