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

C49H36N4S — CID 162362748

IUPAC2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole
SMILESCCC(c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1)c1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C49H36N4S/c1-3-35(49-51-47(32-16-6-4-7-17-32)50-48(52-49)33-26-27-40-39-23-13-15-25-45(39)54-46(40)29-33)36-20-10-11-21-37(36)41-30-44-42(28-31(41)2)38-22-12-14-24-43(38)53(44)34-18-8-5-9-19-34/h4-30,35H,3H2,1-2H3
InChIKeyUZXAYHIUVXWXFB-UHFFFAOYSA-N
MW712.92 g/mol
LogP13.19
Rot. Bonds7

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

2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole (PubChem CID 162362748) has the molecular formula C49H36N4S and a molecular weight of 712.92 g/mol. Its IUPAC name is 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole
PubChem CID162362748
Molecular FormulaC49H36N4S
Molecular Weight712.92 g/mol
Exact Mass712.27
IUPAC Name2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole
SMILESCCC(c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1)c1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C49H36N4S/c1-3-35(49-51-47(32-16-6-4-7-17-32)50-48(52-49)33-26-27-40-39-23-13-15-25-45(39)54-46(40)29-33)36-20-10-11-21-37(36)41-30-44-42(28-31(41)2)38-22-12-14-24-43(38)53(44)34-18-8-5-9-19-34/h4-30,35H,3H2,1-2H3
InChIKeyUZXAYHIUVXWXFB-UHFFFAOYSA-N
XLogP13.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.92
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164980671
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
3-(4-carbazol-9-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 163774507
3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445727
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014738
3-[2-(2-cyclohexa-1,3-dien-1-ylbutyl)phenyl]-9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylcarbazole
CID 166875086

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole?
The IUPAC name of 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole (CID 162362748) is 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole.
What is the SMILES notation for 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole?
The canonical SMILES for 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole is CCC(c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1)c1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole?
The InChIKey is UZXAYHIUVXWXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4S/c1-3-35(49-51-47(32-16-6-4-7-17-32)50-48(52-49)33-26-27-40-39-23-13-15-25-45(39)54-46(40)29-33)36-20-10-11-21-37(36)41-30-44-42(28-31(41)2)38-22-12-14-24-43(38)53(44)34-18-8-5-9-19-34/h4-30,35H,3H2,1-2H3.
What are the key properties of 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole?
2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole has a molecular weight of 712.92 g/mol, XLogP of 13.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)propyl]phenyl]-3-methyl-9-phenylcarbazole is sourced from PubChem (CID 162362748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).