7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole

C55H34N4S — CID 170412163

IUPAC7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2cccc3c2sc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)cc1
InChIInChI=1S/C55H34N4S/c1-5-16-35(17-6-1)39-29-31-47-46(32-39)51-43-25-14-13-24-41(43)45(36-18-7-2-8-19-36)34-49(51)59(47)48-27-15-26-44-42-30-28-40(33-50(42)60-52(44)48)55-57-53(37-20-9-3-10-21-37)56-54(58-55)38-22-11-4-12-23-38/h1-34H
InChIKeyVGBQTUIAAGZPML-UHFFFAOYSA-N
MW782.97 g/mol
LogP14.82
Rot. Bonds6

About 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole

7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole (PubChem CID 170412163) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole
PubChem CID170412163
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2cccc3c2sc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)cc1
InChIInChI=1S/C55H34N4S/c1-5-16-35(17-6-1)39-29-31-47-46(32-39)51-43-25-14-13-24-41(43)45(36-18-7-2-8-19-36)34-49(51)59(47)48-27-15-26-44-42-30-28-40(33-50(42)60-52(44)48)55-57-53(37-20-9-3-10-21-37)56-54(58-55)38-22-11-4-12-23-38/h1-34H
InChIKeyVGBQTUIAAGZPML-UHFFFAOYSA-N
XLogP14.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169010577
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
1,3,6,8-tetradeuterio-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 165166080
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
CID 169011347
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole
CID 170412256
3-[3-[4-(18-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]carbazole
CID 166980225
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165166047
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole
CID 170412166
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855

Frequently Asked Questions

What is the IUPAC name of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole?
The IUPAC name of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole (CID 170412163) is 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole.
What is the SMILES notation for 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole?
The canonical SMILES for 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2cccc3c2sc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)cc1.
What is the InChIKey of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole?
The InChIKey is VGBQTUIAAGZPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-5-16-35(17-6-1)39-29-31-47-46(32-39)51-43-25-14-13-24-41(43)45(36-18-7-2-8-19-36)34-49(51)59(47)48-27-15-26-44-42-30-28-40(33-50(42)60-52(44)48)55-57-53(37-20-9-3-10-21-37)56-54(58-55)38-22-11-4-12-23-38/h1-34H.
What are the key properties of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole?
7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole is sourced from PubChem (CID 170412163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).