5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole

C53H30N4OS — CID 166699317

IUPAC5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(c3)oc3c5ccccc5ccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-13-32(14-3-1)51-54-52(35-23-24-40-39-19-9-11-21-47(39)59-48(40)30-35)56-53(55-51)36-28-45(49-41-25-22-31-12-6-7-17-37(31)50(41)58-46(49)29-36)57-43-20-10-8-18-38(43)42-26-33-15-4-5-16-34(33)27-44(42)57/h1-30H
InChIKeyFXTUQHZVMHOSHP-UHFFFAOYSA-N
MW770.92 g/mol
LogP14.54
Rot. Bonds4

About 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole

5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (PubChem CID 166699317) has the molecular formula C53H30N4OS and a molecular weight of 770.92 g/mol. Its IUPAC name is 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
PubChem CID166699317
Molecular FormulaC53H30N4OS
Molecular Weight770.92 g/mol
Exact Mass770.21
IUPAC Name5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(c3)oc3c5ccccc5ccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-13-32(14-3-1)51-54-52(35-23-24-40-39-19-9-11-21-47(39)59-48(40)30-35)56-53(55-51)36-28-45(49-41-25-22-31-12-6-7-17-37(31)50(41)58-46(49)29-36)57-43-20-10-8-18-38(43)42-26-33-15-4-5-16-34(33)27-44(42)57/h1-30H
InChIKeyFXTUQHZVMHOSHP-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-[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-[7-(4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 164714703
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-[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-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 166700180
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
5-[3-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347413
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
12-[1-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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;5-[7-(4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 165109374
5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 166699339
5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699291
5-[1-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;5-[1-[4-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 164969529

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (CID 166699317) is 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(c3)oc3c5ccccc5ccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The InChIKey is FXTUQHZVMHOSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4OS/c1-2-13-32(14-3-1)51-54-52(35-23-24-40-39-19-9-11-21-47(39)59-48(40)30-35)56-53(55-51)36-28-45(49-41-25-22-31-12-6-7-17-37(31)50(41)58-46(49)29-36)57-43-20-10-8-18-38(43)42-26-33-15-4-5-16-34(33)27-44(42)57/h1-30H.
What are the key properties of 5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-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-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is sourced from PubChem (CID 166699317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).