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

C45H32N4S — CID 145064186

IUPAC3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
SMILESc1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H32N4S/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)31-19-23-34(24-20-31)49-39-17-9-7-15-35(39)37-27-32(21-25-40(37)49)33-22-26-42-38(28-33)36-16-8-10-18-41(36)50-42/h1-28,43-44,46H,(H,47,48)
InChIKeyRSQVRDMGDFOABB-UHFFFAOYSA-N
MW660.85 g/mol
LogP11.16
Rot. Bonds5

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

3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole (PubChem CID 145064186) has the molecular formula C45H32N4S and a molecular weight of 660.85 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
PubChem CID145064186
Molecular FormulaC45H32N4S
Molecular Weight660.85 g/mol
Exact Mass660.23
IUPAC Name3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
SMILESc1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H32N4S/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)31-19-23-34(24-20-31)49-39-17-9-7-15-35(39)37-27-32(21-25-40(37)49)33-22-26-42-38(28-33)36-16-8-10-18-41(36)50-42/h1-28,43-44,46H,(H,47,48)
InChIKeyRSQVRDMGDFOABB-UHFFFAOYSA-N
XLogP11.16
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.85
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
9-[8-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-3-yl]carbazole
CID 166962316
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
CID 166962389
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962590
9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole
CID 146664344
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole (CID 145064186) is 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole is c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole?
The InChIKey is RSQVRDMGDFOABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4S/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)31-19-23-34(24-20-31)49-39-17-9-7-15-35(39)37-27-32(21-25-40(37)49)33-22-26-42-38(28-33)36-16-8-10-18-41(36)50-42/h1-28,43-44,46H,(H,47,48).
What are the key properties of 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole?
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole has a molecular weight of 660.85 g/mol, XLogP of 11.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole is sourced from PubChem (CID 145064186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).