5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole

C53H30N4OS — CID 163791051

IUPAC5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5oc6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c54)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-10-31(11-3-1)51-54-52(56-53(55-51)36-20-25-49-43(28-36)40-15-7-9-17-48(40)59-49)35-18-22-38-34(26-35)19-24-46-50(38)41-23-21-37(30-47(41)58-46)57-44-16-8-6-14-39(44)42-27-32-12-4-5-13-33(32)29-45(42)57/h1-30H
InChIKeyMWTJSEGLONRNDC-UHFFFAOYSA-N
MW770.92 g/mol
LogP14.54
Rot. Bonds4

About 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 163791051) has the molecular formula C53H30N4OS and a molecular weight of 770.92 g/mol. Its IUPAC name is 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
PubChem CID163791051
Molecular FormulaC53H30N4OS
Molecular Weight770.92 g/mol
Exact Mass770.21
IUPAC Name5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5oc6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c54)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-10-31(11-3-1)51-54-52(56-53(55-51)36-20-25-49-43(28-36)40-15-7-9-17-48(40)59-49)35-18-22-38-34(26-35)19-24-46-50(38)41-23-21-37(30-47(41)58-46)57-44-16-8-6-14-39(44)42-27-32-12-4-5-13-33(32)29-45(42)57/h1-30H
InChIKeyMWTJSEGLONRNDC-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-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 165108254
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-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 155382620
5-[3-dibenzothiophen-2-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430529
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163539451
3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159267968
12-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-3-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 163958376
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430579
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
5-[10-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163983366
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 154968541

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 163791051) is 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(ccc5oc6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c54)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
The InChIKey is MWTJSEGLONRNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4OS/c1-2-10-31(11-3-1)51-54-52(56-53(55-51)36-20-25-49-43(28-36)40-15-7-9-17-48(40)59-49)35-18-22-38-34(26-35)19-24-46-50(38)41-23-21-37(30-47(41)58-46)57-44-16-8-6-14-39(44)42-27-32-12-4-5-13-33(32)29-45(42)57/h1-30H.
What are the key properties of 5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-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-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 163791051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).