5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole

C59H34N4S2 — CID 155035540

IUPAC5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)c5c6ccccc6sc5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C59H34N4S2/c1-2-15-35(16-3-1)36-19-14-20-39(31-36)57-60-58(40-29-30-52-47(33-40)42-22-9-12-27-50(42)64-52)62-59(61-57)54-43-23-6-7-24-44(43)56-53(45-25-10-13-28-51(45)65-56)55(54)63-48-26-11-8-21-41(48)46-32-37-17-4-5-18-38(37)34-49(46)63/h1-34H
InChIKeyRKMFPKBRPJITBL-UHFFFAOYSA-N
MW863.08 g/mol
LogP16.68
Rot. Bonds5

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

5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole (PubChem CID 155035540) has the molecular formula C59H34N4S2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
PubChem CID155035540
Molecular FormulaC59H34N4S2
Molecular Weight863.08 g/mol
Exact Mass862.22
IUPAC Name5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)c5c6ccccc6sc5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C59H34N4S2/c1-2-15-35(16-3-1)36-19-14-20-39(31-36)57-60-58(40-29-30-52-47(33-40)42-22-9-12-27-50(42)64-52)62-59(61-57)54-43-23-6-7-24-44(43)56-53(45-25-10-13-28-51(45)65-56)55(54)63-48-26-11-8-21-41(48)46-32-37-17-4-5-18-38(37)34-49(46)63/h1-34H
InChIKeyRKMFPKBRPJITBL-UHFFFAOYSA-N
XLogP16.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole with MolForge

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Related Compounds

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-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 164715024
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474735
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
CID 163796934
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(3-phenylphenyl)phenyl]benzo[b]carbazole
CID 155450024
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole
CID 155035114
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole (CID 155035540) is 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)c5c6ccccc6sc5c5ccccc45)n3)c2)cc1.
What is the InChIKey of 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
The InChIKey is RKMFPKBRPJITBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4S2/c1-2-15-35(16-3-1)36-19-14-20-39(31-36)57-60-58(40-29-30-52-47(33-40)42-22-9-12-27-50(42)64-52)62-59(61-57)54-43-23-6-7-24-44(43)56-53(45-25-10-13-28-51(45)65-56)55(54)63-48-26-11-8-21-41(48)46-32-37-17-4-5-18-38(37)34-49(46)63/h1-34H.
What are the key properties of 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole has a molecular weight of 863.08 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole is sourced from PubChem (CID 155035540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).