9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole

C57H36N4S — CID 176607658

IUPAC9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7cccc(-c8ccccc8-n8c9ccccc9c9ccccc98)c7c56)n4)c3)c2)cc1
InChIInChI=1S/C57H36N4S/c1-3-17-37(18-4-1)39-21-13-22-40(35-39)41-23-14-24-42(36-41)56-58-55(38-19-5-2-6-20-38)59-57(60-56)47-29-16-34-52-54(47)53-46(28-15-33-51(53)62-52)45-27-9-12-32-50(45)61-48-30-10-7-25-43(48)44-26-8-11-31-49(44)61/h1-36H
InChIKeyPLIDGWMUVHNZPX-UHFFFAOYSA-N
MW809.01 g/mol
LogP15.34
Rot. Bonds7

About 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole

9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole (PubChem CID 176607658) has the molecular formula C57H36N4S and a molecular weight of 809.01 g/mol. Its IUPAC name is 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
PubChem CID176607658
Molecular FormulaC57H36N4S
Molecular Weight809.01 g/mol
Exact Mass808.27
IUPAC Name9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7cccc(-c8ccccc8-n8c9ccccc9c9ccccc98)c7c56)n4)c3)c2)cc1
InChIInChI=1S/C57H36N4S/c1-3-17-37(18-4-1)39-21-13-22-40(35-39)41-23-14-24-42(36-41)56-58-55(38-19-5-2-6-20-38)59-57(60-56)47-29-16-34-52-54(47)53-46(28-15-33-51(53)62-52)45-27-9-12-32-50(45)61-48-30-10-7-25-43(48)44-26-8-11-31-49(44)61/h1-36H
InChIKeyPLIDGWMUVHNZPX-UHFFFAOYSA-N
XLogP15.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[8-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607682
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(2-phenylphenyl)carbazole
CID 154601901
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole
CID 166980361
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183666
9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 168801597
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
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)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277

Frequently Asked Questions

What is the IUPAC name of 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole (CID 176607658) is 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7cccc(-c8ccccc8-n8c9ccccc9c9ccccc98)c7c56)n4)c3)c2)cc1.
What is the InChIKey of 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole?
The InChIKey is PLIDGWMUVHNZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4S/c1-3-17-37(18-4-1)39-21-13-22-40(35-39)41-23-14-24-42(36-41)56-58-55(38-19-5-2-6-20-38)59-57(60-56)47-29-16-34-52-54(47)53-46(28-15-33-51(53)62-52)45-27-9-12-32-50(45)61-48-30-10-7-25-43(48)44-26-8-11-31-49(44)61/h1-36H.
What are the key properties of 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole?
9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole has a molecular weight of 809.01 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole is sourced from PubChem (CID 176607658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).