9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole

C34H21N3S — CID 118154625

IUPAC9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C34H21N3S/c1-2-11-22(12-3-1)27-21-28(25-16-10-20-32-33(25)26-15-6-9-19-31(26)38-32)36-34(35-27)37-29-17-7-4-13-23(29)24-14-5-8-18-30(24)37/h1-21H
InChIKeyLVQPIHPOAPXUKB-UHFFFAOYSA-N
MW503.63 g/mol
LogP9.28
Rot. Bonds3

About 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole

9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole (PubChem CID 118154625) has the molecular formula C34H21N3S and a molecular weight of 503.63 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
PubChem CID118154625
Molecular FormulaC34H21N3S
Molecular Weight503.63 g/mol
Exact Mass503.15
IUPAC Name9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C34H21N3S/c1-2-11-22(12-3-1)27-21-28(25-16-10-20-32-33(25)26-15-6-9-19-31(26)38-32)36-34(35-27)37-29-17-7-4-13-23(29)24-14-5-8-18-30(24)37/h1-21H
InChIKeyLVQPIHPOAPXUKB-UHFFFAOYSA-N
XLogP9.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888286
5-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118888370
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-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;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-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 160639812
9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
2-(6-dibenzothiophen-1-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118154616
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
2-dibenzothiophen-1-yl-4,6-diphenylpyrimidine
CID 134199317
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
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163467977
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 130417437

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole?
The IUPAC name of 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole (CID 118154625) is 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole?
The canonical SMILES for 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole is c1ccc(-c2cc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole?
The InChIKey is LVQPIHPOAPXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3S/c1-2-11-22(12-3-1)27-21-28(25-16-10-20-32-33(25)26-15-6-9-19-31(26)38-32)36-34(35-27)37-29-17-7-4-13-23(29)24-14-5-8-18-30(24)37/h1-21H.
What are the key properties of 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole?
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole has a molecular weight of 503.63 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole is sourced from PubChem (CID 118154625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).