9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole

C51H32N4S — CID 154624627

IUPAC9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)c2)cc1
InChIInChI=1S/C51H32N4S/c1-4-13-33(14-5-1)37-24-27-46-43(30-37)41-21-10-11-22-45(41)55(46)40-20-12-19-36(29-40)38-25-28-47-44(31-38)42-26-23-39(32-48(42)56-47)51-53-49(34-15-6-2-7-16-34)52-50(54-51)35-17-8-3-9-18-35/h1-32H
InChIKeyHPZROCSNMMILDI-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

About 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole

9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole (PubChem CID 154624627) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
PubChem CID154624627
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)c2)cc1
InChIInChI=1S/C51H32N4S/c1-4-13-33(14-5-1)37-24-27-46-43(30-37)41-21-10-11-22-45(41)55(46)40-20-12-19-36(29-40)38-25-28-47-44(31-38)42-26-23-39(32-48(42)56-47)51-53-49(34-15-6-2-7-16-34)52-50(54-51)35-17-8-3-9-18-35/h1-32H
InChIKeyHPZROCSNMMILDI-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312
9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
CID 126632090
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole
CID 157308246
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
9-[3-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747138
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472

Frequently Asked Questions

What is the IUPAC name of 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole (CID 154624627) is 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)c2)cc1.
What is the InChIKey of 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole?
The InChIKey is HPZROCSNMMILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-4-13-33(14-5-1)37-24-27-46-43(30-37)41-21-10-11-22-45(41)55(46)40-20-12-19-36(29-40)38-25-28-47-44(31-38)42-26-23-39(32-48(42)56-47)51-53-49(34-15-6-2-7-16-34)52-50(54-51)35-17-8-3-9-18-35/h1-32H.
What are the key properties of 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole?
9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole has a molecular weight of 732.91 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole is sourced from PubChem (CID 154624627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).