9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C51H32N4S — CID 139556264

IUPAC9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2ccc3sc4c(-c5ccccc5)cc(-n5c6ccccc6c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc65)cc4c3c2)cc1
InChIInChI=1S/C51H32N4S/c1-5-16-33(17-6-1)37-28-29-46-42(30-37)43-32-38(31-41(48(43)56-46)34-18-7-2-8-19-34)55-44-26-14-13-24-39(44)47-40(25-15-27-45(47)55)51-53-49(35-20-9-3-10-21-35)52-50(54-51)36-22-11-4-12-23-36/h1-32H
InChIKeyIDZZBQSBZMKJEL-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

About 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 139556264) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID139556264
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2ccc3sc4c(-c5ccccc5)cc(-n5c6ccccc6c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc65)cc4c3c2)cc1
InChIInChI=1S/C51H32N4S/c1-5-16-33(17-6-1)37-28-29-46-42(30-37)43-32-38(31-41(48(43)56-46)34-18-7-2-8-19-34)55-44-26-14-13-24-39(44)47-40(25-15-27-45(47)55)51-53-49(35-20-9-3-10-21-35)52-50(54-51)36-22-11-4-12-23-36/h1-32H
InChIKeyIDZZBQSBZMKJEL-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

4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 139556171
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130265922
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780319
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]carbazole
CID 157328145
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole
CID 154968439
9-phenyl-2-[4-phenyl-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 155329903
3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
CID 154591070
4-[4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170151798

Frequently Asked Questions

What is the IUPAC name of 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 139556264) is 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2ccc3sc4c(-c5ccccc5)cc(-n5c6ccccc6c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc65)cc4c3c2)cc1.
What is the InChIKey of 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is IDZZBQSBZMKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-5-16-33(17-6-1)37-28-29-46-42(30-37)43-32-38(31-41(48(43)56-46)34-18-7-2-8-19-34)55-44-26-14-13-24-39(44)47-40(25-15-27-45(47)55)51-53-49(35-20-9-3-10-21-35)52-50(54-51)36-22-11-4-12-23-36/h1-32H.
What are the key properties of 9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole 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-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 139556264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).