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

C53H30N4OS — CID 163473582

IUPAC5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-14-31(15-3-1)51-54-52(38-23-13-27-47-48(38)37-21-9-11-26-46(37)59-47)56-53(55-51)39-22-12-25-44-50(39)49-36-20-7-6-18-34(36)43(30-45(49)58-44)57-41-24-10-8-19-35(41)40-28-32-16-4-5-17-33(32)29-42(40)57/h1-30H
InChIKeyBYPAJPPFPGZZHU-UHFFFAOYSA-N
MW770.92 g/mol
LogP14.54
Rot. Bonds4

About 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

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 (PubChem CID 163473582) has the molecular formula C53H30N4OS and a molecular weight of 770.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
PubChem CID163473582
Molecular FormulaC53H30N4OS
Molecular Weight770.92 g/mol
Exact Mass770.21
IUPAC Name5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-14-31(15-3-1)51-54-52(38-23-13-27-47-48(38)37-21-9-11-26-46(37)59-47)56-53(55-51)39-22-12-25-44-50(39)49-36-20-7-6-18-34(36)43(30-45(49)58-44)57-41-24-10-8-19-35(41)40-28-32-16-4-5-17-33(32)29-42(40)57/h1-30H
InChIKeyBYPAJPPFPGZZHU-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-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
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-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263
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-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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 166700694
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
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6c5c34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is BYPAJPPFPGZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4OS/c1-2-14-31(15-3-1)51-54-52(38-23-13-27-47-48(38)37-21-9-11-26-46(37)59-47)56-53(55-51)39-22-12-25-44-50(39)49-36-20-7-6-18-34(36)43(30-45(49)58-44)57-41-24-10-8-19-35(41)40-28-32-16-4-5-17-33(32)29-42(40)57/h1-30H.
What are the key properties of 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?
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 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-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole is sourced from PubChem (CID 163473582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).