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

C49H28N4OS — CID 164714559

IUPAC5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(35-20-12-24-43-44(35)34-19-8-11-23-42(34)55-43)52-49(51-47)46-38(25-26-41-45(46)33-18-7-10-22-40(33)54-41)53-37-21-9-6-17-32(37)36-27-30-15-4-5-16-31(30)28-39(36)53/h1-28H
InChIKeyPJLUEAINYNFADO-UHFFFAOYSA-N
MW720.86 g/mol
LogP13.39
Rot. Bonds4

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

5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 164714559) has the molecular formula C49H28N4OS and a molecular weight of 720.86 g/mol. Its IUPAC name is 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID164714559
Molecular FormulaC49H28N4OS
Molecular Weight720.86 g/mol
Exact Mass720.20
IUPAC Name5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(35-20-12-24-43-44(35)34-19-8-11-23-42(34)55-43)52-49(51-47)46-38(25-26-41-45(46)33-18-7-10-22-40(33)54-41)53-37-21-9-6-17-32(37)36-27-30-15-4-5-16-31(30)28-39(36)53/h1-28H
InChIKeyPJLUEAINYNFADO-UHFFFAOYSA-N
XLogP13.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 164714845
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163473582
12-[1-(4-dibenzothiophen-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714905
12-[1-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 164714868
5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714916
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347963
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 161186460

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 164714559) is 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is PJLUEAINYNFADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(35-20-12-24-43-44(35)34-19-8-11-23-42(34)55-43)52-49(51-47)46-38(25-26-41-45(46)33-18-7-10-22-40(33)54-41)53-37-21-9-6-17-32(37)36-27-30-15-4-5-16-31(30)28-39(36)53/h1-28H.
What are the key properties of 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 720.86 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 164714559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).