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

C53H30N4OS — CID 155043006

IUPAC5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1
InChIInChI=1S/C53H30N4OS/c1-2-13-32-26-35(25-24-31(32)12-1)51-54-52(56-53(55-51)41-20-11-19-40-39-18-7-10-23-48(39)59-50(40)41)36-28-43-38-17-6-9-22-47(38)58-49(43)46(30-36)57-44-21-8-5-16-37(44)42-27-33-14-3-4-15-34(33)29-45(42)57/h1-30H
InChIKeyHFZXEYOOJWCNTP-UHFFFAOYSA-N
MW770.92 g/mol
LogP14.54
Rot. Bonds4

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

5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 155043006) has the molecular formula C53H30N4OS and a molecular weight of 770.92 g/mol. Its IUPAC name is 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID155043006
Molecular FormulaC53H30N4OS
Molecular Weight770.92 g/mol
Exact Mass770.21
IUPAC Name5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1
InChIInChI=1S/C53H30N4OS/c1-2-13-32-26-35(25-24-31(32)12-1)51-54-52(56-53(55-51)41-20-11-19-40-39-18-7-10-23-48(39)59-50(40)41)36-28-43-38-17-6-9-22-47(38)58-49(43)46(30-36)57-44-21-8-5-16-37(44)42-27-33-14-3-4-15-34(33)29-45(42)57/h1-30H
InChIKeyHFZXEYOOJWCNTP-UHFFFAOYSA-N
XLogP14.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.92
LogP ≤ 514.54
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-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347710
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-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034
5-[9-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700217
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166700023
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699163
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
9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole
CID 170534455
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[b]carbazole
CID 163771493
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole (CID 155043006) is 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1.
What is the InChIKey of 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is HFZXEYOOJWCNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4OS/c1-2-13-32-26-35(25-24-31(32)12-1)51-54-52(56-53(55-51)41-20-11-19-40-39-18-7-10-23-48(39)59-50(40)41)36-28-43-38-17-6-9-22-47(38)58-49(43)46(30-36)57-44-21-8-5-16-37(44)42-27-33-14-3-4-15-34(33)29-45(42)57/h1-30H.
What are the key properties of 5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 770.92 g/mol, XLogP of 14.54, 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-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 155043006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).