9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole

C40H25N3S — CID 90291697

IUPAC9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H25N3S/c1-3-12-26(13-4-1)32-25-33(42-40(41-32)27-14-5-2-6-15-27)28-22-23-35-31(24-28)29-16-7-9-18-34(29)43(35)36-19-11-21-38-39(36)30-17-8-10-20-37(30)44-38/h1-25H
InChIKeyKTZGHDZAXHCKEK-UHFFFAOYSA-N
MW579.73 g/mol
LogP10.94
Rot. Bonds4

About 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole

9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole (PubChem CID 90291697) has the molecular formula C40H25N3S and a molecular weight of 579.73 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
PubChem CID90291697
Molecular FormulaC40H25N3S
Molecular Weight579.73 g/mol
Exact Mass579.18
IUPAC Name9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H25N3S/c1-3-12-26(13-4-1)32-25-33(42-40(41-32)27-14-5-2-6-15-27)28-22-23-35-31(24-28)29-16-7-9-18-34(29)43(35)36-19-11-21-38-39(36)30-17-8-10-20-37(30)44-38/h1-25H
InChIKeyKTZGHDZAXHCKEK-UHFFFAOYSA-N
XLogP10.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.73
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-carbazol-9-yl-2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzonitrile
CID 122575905
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole
CID 146616834
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-[16-[4-[3-[3-[4-(19-carbazol-9-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)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-yl]carbazole
CID 166980236
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole?
The IUPAC name of 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole (CID 90291697) is 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole?
The canonical SMILES for 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole is c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole?
The InChIKey is KTZGHDZAXHCKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3S/c1-3-12-26(13-4-1)32-25-33(42-40(41-32)27-14-5-2-6-15-27)28-22-23-35-31(24-28)29-16-7-9-18-34(29)43(35)36-19-11-21-38-39(36)30-17-8-10-20-37(30)44-38/h1-25H.
What are the key properties of 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole?
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole has a molecular weight of 579.73 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 90291697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).