11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole

C57H32N4OS — CID 142572075

IUPAC11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7sc8ccc9ccccc9c8c7c6)cccc5c5ccc6ccccc6c54)n3)ccc2c1
InChIInChI=1S/C57H32N4OS/c1-2-13-36-30-38(21-20-33(36)10-1)55-58-56(39-23-26-44-43-16-7-8-19-48(43)62-49(44)32-39)60-57(59-55)61-53-41-15-6-4-12-35(41)22-27-46(53)45-18-9-17-42(54(45)61)37-25-28-50-47(31-37)52-40-14-5-3-11-34(40)24-29-51(52)63-50/h1-32H
InChIKeyLEWPOLDIZGTFGE-UHFFFAOYSA-N
MW820.98 g/mol
LogP15.70
Rot. Bonds4

About 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole

11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole (PubChem CID 142572075) has the molecular formula C57H32N4OS and a molecular weight of 820.98 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
PubChem CID142572075
Molecular FormulaC57H32N4OS
Molecular Weight820.98 g/mol
Exact Mass820.23
IUPAC Name11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7sc8ccc9ccccc9c8c7c6)cccc5c5ccc6ccccc6c54)n3)ccc2c1
InChIInChI=1S/C57H32N4OS/c1-2-13-36-30-38(21-20-33(36)10-1)55-58-56(39-23-26-44-43-16-7-8-19-48(43)62-49(44)32-39)60-57(59-55)61-53-41-15-6-4-12-35(41)22-27-46(53)45-18-9-17-42(54(45)61)37-25-28-50-47(31-37)52-40-14-5-3-11-34(40)24-29-51(52)63-50/h1-32H
InChIKeyLEWPOLDIZGTFGE-UHFFFAOYSA-N
XLogP15.70
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.98
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole with MolForge

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Related Compounds

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-dibenzothiophen-3-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142570612
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane
CID 142571781
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole
CID 142571652
5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
CID 142570393
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570998
11-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-8-ylbenzo[a]carbazole;ethane
CID 142570249
19-dibenzofuran-2-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;ethane
CID 142571760
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole?
The IUPAC name of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole (CID 142572075) is 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole is c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7sc8ccc9ccccc9c8c7c6)cccc5c5ccc6ccccc6c54)n3)ccc2c1.
What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole?
The InChIKey is LEWPOLDIZGTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4OS/c1-2-13-36-30-38(21-20-33(36)10-1)55-58-56(39-23-26-44-43-16-7-8-19-48(43)62-49(44)32-39)60-57(59-55)61-53-41-15-6-4-12-35(41)22-27-46(53)45-18-9-17-42(54(45)61)37-25-28-50-47(31-37)52-40-14-5-3-11-34(40)24-29-51(52)63-50/h1-32H.
What are the key properties of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole?
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole has a molecular weight of 820.98 g/mol, XLogP of 15.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole is sourced from PubChem (CID 142572075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).