9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole

C52H33N3S2 — CID 139555395

IUPAC9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccc2c3ccccc3n(-c3cc(-c4cccc5sc6ccccc6c45)c4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C52H33N3S2/c1-3-14-32(15-4-1)43-31-44(54-52(53-43)33-16-5-2-6-17-33)34-26-27-37-36-18-7-10-22-45(36)55(46(37)28-34)35-29-41-38-19-8-11-23-47(38)57-51(41)42(30-35)39-21-13-25-49-50(39)40-20-9-12-24-48(40)56-49/h1-31,52-53H
InChIKeyWQUOHUNGCJXEBW-UHFFFAOYSA-N
MW763.99 g/mol
LogP14.32
Rot. Bonds5

About 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole

9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole (PubChem CID 139555395) has the molecular formula C52H33N3S2 and a molecular weight of 763.99 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
PubChem CID139555395
Molecular FormulaC52H33N3S2
Molecular Weight763.99 g/mol
Exact Mass763.21
IUPAC Name9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccc2c3ccccc3n(-c3cc(-c4cccc5sc6ccccc6c45)c4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C52H33N3S2/c1-3-14-32(15-4-1)43-31-44(54-52(53-43)33-16-5-2-6-17-33)34-26-27-37-36-18-7-10-22-45(36)55(46(37)28-34)35-29-41-38-19-8-11-23-47(38)57-51(41)42(30-35)39-21-13-25-49-50(39)40-20-9-12-24-48(40)56-49/h1-31,52-53H
InChIKeyWQUOHUNGCJXEBW-UHFFFAOYSA-N
XLogP14.32
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.99
LogP ≤ 514.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
CID 139556148
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
6-dibenzothiophen-4-yl-9-[3-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-1,3-diphenylcarbazole
CID 144834657
9-(4-dibenzofuran-1-yldibenzothiophen-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139555563
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 164968420
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole?
The IUPAC name of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole (CID 139555395) is 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole?
The canonical SMILES for 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole is C1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccc2c3ccccc3n(-c3cc(-c4cccc5sc6ccccc6c45)c4sc5ccccc5c4c3)c2c1.
What is the InChIKey of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole?
The InChIKey is WQUOHUNGCJXEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S2/c1-3-14-32(15-4-1)43-31-44(54-52(53-43)33-16-5-2-6-17-33)34-26-27-37-36-18-7-10-22-45(36)55(46(37)28-34)35-29-41-38-19-8-11-23-47(38)57-51(41)42(30-35)39-21-13-25-49-50(39)40-20-9-12-24-48(40)56-49/h1-31,52-53H.
What are the key properties of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole?
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole has a molecular weight of 763.99 g/mol, XLogP of 14.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole is sourced from PubChem (CID 139555395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).