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

C49H28N4OS — CID 155043263

IUPAC5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccccc5c4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(52-49(51-47)36-20-12-24-44-45(36)35-19-8-11-23-43(35)55-44)32-26-38-34-18-7-10-22-42(34)54-46(38)41(28-32)53-39-21-9-6-17-33(39)37-25-30-15-4-5-16-31(30)27-40(37)53/h1-28H
InChIKeyYIMKPWADUFUQSR-UHFFFAOYSA-N
MW720.86 g/mol
LogP13.39
Rot. Bonds4

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

5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 155043263) has the molecular formula C49H28N4OS and a molecular weight of 720.86 g/mol. Its IUPAC name is 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID155043263
Molecular FormulaC49H28N4OS
Molecular Weight720.86 g/mol
Exact Mass720.20
IUPAC Name5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccccc5c4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(52-49(51-47)36-20-12-24-44-45(36)35-19-8-11-23-43(35)55-44)32-26-38-34-18-7-10-22-42(34)54-46(38)41(28-32)53-39-21-9-6-17-33(39)37-25-30-15-4-5-16-31(30)27-40(37)53/h1-28H
InChIKeyYIMKPWADUFUQSR-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-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166495995
12-[2-[4-dibenzothiophen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166700437
5-[2-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699435
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
12-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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 166700414
12-[2-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 166699655
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
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
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole (CID 155043263) is 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccccc5c4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is YIMKPWADUFUQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(52-49(51-47)36-20-12-24-44-45(36)35-19-8-11-23-43(35)55-44)32-26-38-34-18-7-10-22-42(34)54-46(38)41(28-32)53-39-21-9-6-17-33(39)37-25-30-15-4-5-16-31(30)27-40(37)53/h1-28H.
What are the key properties of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 155043263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).