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

C49H30N4OS — CID 155037887

IUPAC5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(oc5ccccc54)c3-n3c4ccccc4c4cc5ccccc5cc43)N=C(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C49H30N4OS/c1-2-13-29(14-3-1)47-50-48(36-20-12-24-43-44(36)35-19-8-11-23-42(35)55-43)52-49(51-47)37-26-25-34-33-18-7-10-22-41(33)54-46(34)45(37)53-39-21-9-6-17-32(39)38-27-30-15-4-5-16-31(30)28-40(38)53/h1-28,49H,(H,50,51,52)
InChIKeyCKMJXVLTOOTLDD-UHFFFAOYSA-N
MW722.87 g/mol
LogP12.70
Rot. Bonds4

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

5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 155037887) has the molecular formula C49H30N4OS and a molecular weight of 722.87 g/mol. Its IUPAC name is 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID155037887
Molecular FormulaC49H30N4OS
Molecular Weight722.87 g/mol
Exact Mass722.21
IUPAC Name5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(oc5ccccc54)c3-n3c4ccccc4c4cc5ccccc5cc43)N=C(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C49H30N4OS/c1-2-13-29(14-3-1)47-50-48(36-20-12-24-43-44(36)35-19-8-11-23-42(35)55-43)52-49(51-47)37-26-25-34-33-18-7-10-22-41(33)54-46(34)45(37)53-39-21-9-6-17-32(39)38-27-30-15-4-5-16-31(30)28-40(38)53/h1-28,49H,(H,50,51,52)
InChIKeyCKMJXVLTOOTLDD-UHFFFAOYSA-N
XLogP12.70
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.87
LogP ≤ 512.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170187141
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
5-[3-[8-dibenzothiophen-1-yl-4-[2-(9H-fluoren-9-yl)ethyl]-4,5,6,7-tetrahydro-1,3-diazocin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155038171
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430956
5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166915890

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 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) is 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(C2=NC(c3ccc4c(oc5ccccc54)c3-n3c4ccccc4c4cc5ccccc5cc43)N=C(c3cccc4sc5ccccc5c34)N2)cc1.
What is the InChIKey of 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is CKMJXVLTOOTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4OS/c1-2-13-29(14-3-1)47-50-48(36-20-12-24-43-44(36)35-19-8-11-23-42(35)55-43)52-49(51-47)37-26-25-34-33-18-7-10-22-41(33)54-46(34)45(37)53-39-21-9-6-17-32(39)38-27-30-15-4-5-16-31(30)28-40(38)53/h1-28,49H,(H,50,51,52).
What are the key properties of 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole?
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 722.87 g/mol, XLogP of 12.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 155037887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).