7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole

C53H30N4OS — CID 142571736

IUPAC7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)sc6ccccc67)c54)n3)ccc2c1
InChIInChI=1S/C53H30N4OS/c1-2-12-33-28-35(21-20-31(33)10-1)51-54-52(36-23-25-40-39-14-5-7-18-45(39)58-46(40)29-36)56-53(55-51)57-44-27-24-32-11-3-4-13-37(32)49(44)43-17-9-16-38(50(43)57)34-22-26-42-41-15-6-8-19-47(41)59-48(42)30-34/h1-30H
InChIKeyZPUKNWHMNZIXNW-UHFFFAOYSA-N
MW770.92 g/mol
LogP14.54
Rot. Bonds4

About 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole

7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole (PubChem CID 142571736) has the molecular formula C53H30N4OS and a molecular weight of 770.92 g/mol. Its IUPAC name is 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
PubChem CID142571736
Molecular FormulaC53H30N4OS
Molecular Weight770.92 g/mol
Exact Mass770.21
IUPAC Name7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)sc6ccccc67)c54)n3)ccc2c1
InChIInChI=1S/C53H30N4OS/c1-2-12-33-28-35(21-20-31(33)10-1)51-54-52(36-23-25-40-39-14-5-7-18-45(39)58-46(40)29-36)56-53(55-51)57-44-27-24-32-11-3-4-13-37(32)49(44)43-17-9-16-38(50(43)57)34-22-26-42-41-15-6-8-19-47(41)59-48(42)30-34/h1-30H
InChIKeyZPUKNWHMNZIXNW-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

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
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
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
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
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
7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane
CID 142568154
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
9-dibenzofuran-3-yl-23-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
CID 171044217
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole?
The IUPAC name of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole (CID 142571736) is 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole.
What is the SMILES notation for 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole?
The canonical SMILES for 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole is c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)sc6ccccc67)c54)n3)ccc2c1.
What is the InChIKey of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole?
The InChIKey is ZPUKNWHMNZIXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4OS/c1-2-12-33-28-35(21-20-31(33)10-1)51-54-52(36-23-25-40-39-14-5-7-18-45(39)58-46(40)29-36)56-53(55-51)57-44-27-24-32-11-3-4-13-37(32)49(44)43-17-9-16-38(50(43)57)34-22-26-42-41-15-6-8-19-47(41)59-48(42)30-34/h1-30H.
What are the key properties of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole?
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]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 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole is sourced from PubChem (CID 142571736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).