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

C47H28N4S — CID 142570090

IUPAC8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1
InChIInChI=1S/C47H28N4S/c1-2-14-31(15-3-1)45-48-46(33-25-24-29-12-4-5-16-32(29)28-33)50-47(49-45)51-40-27-26-30-13-6-7-17-34(30)42(40)39-22-10-19-36(43(39)51)38-21-11-20-37-35-18-8-9-23-41(35)52-44(37)38/h1-28H
InChIKeyMHISLJAVSSJGMA-UHFFFAOYSA-N
MW680.84 g/mol
LogP12.64
Rot. Bonds4

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

8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 142570090) has the molecular formula C47H28N4S and a molecular weight of 680.84 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID142570090
Molecular FormulaC47H28N4S
Molecular Weight680.84 g/mol
Exact Mass680.20
IUPAC Name8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1
InChIInChI=1S/C47H28N4S/c1-2-14-31(15-3-1)45-48-46(33-25-24-29-12-4-5-16-32(29)28-33)50-47(49-45)51-40-27-26-30-13-6-7-17-34(30)42(40)39-22-10-19-36(43(39)51)38-21-11-20-37-35-18-8-9-23-41(35)52-44(37)38/h1-28H
InChIKeyMHISLJAVSSJGMA-UHFFFAOYSA-N
XLogP12.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.84
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142571610
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole
CID 142570557
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-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 166916090
8-dibenzofuran-1-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142571739
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
21-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-19-naphtho[2,1-b][1]benzothiol-8-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 142571144

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 142570090) is 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1.
What is the InChIKey of 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is MHISLJAVSSJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S/c1-2-14-31(15-3-1)45-48-46(33-25-24-29-12-4-5-16-32(29)28-33)50-47(49-45)51-40-27-26-30-13-6-7-17-34(30)42(40)39-22-10-19-36(43(39)51)38-21-11-20-37-35-18-8-9-23-41(35)52-44(37)38/h1-28H.
What are the key properties of 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 680.84 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142570090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).