8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole

C44H27N3S — CID 142571610

IUPAC8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1
InChIInChI=1S/C44H27N3S/c1-3-14-29(15-4-1)37-27-38(30-16-5-2-6-17-30)46-44(45-37)47-39-26-25-28-13-7-8-18-31(28)41(39)36-23-11-20-33(42(36)47)35-22-12-21-34-32-19-9-10-24-40(32)48-43(34)35/h1-27H
InChIKeyHOURWATXWFCJMM-UHFFFAOYSA-N
MW629.79 g/mol
LogP12.10
Rot. Bonds4

About 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole

8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole (PubChem CID 142571610) has the molecular formula C44H27N3S and a molecular weight of 629.79 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
PubChem CID142571610
Molecular FormulaC44H27N3S
Molecular Weight629.79 g/mol
Exact Mass629.19
IUPAC Name8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1
InChIInChI=1S/C44H27N3S/c1-3-14-29(15-4-1)37-27-38(30-16-5-2-6-17-30)46-44(45-37)47-39-26-25-28-13-7-8-18-31(28)41(39)36-23-11-20-33(42(36)47)35-22-12-21-34-32-19-9-10-24-40(32)48-43(34)35/h1-27H
InChIKeyHOURWATXWFCJMM-UHFFFAOYSA-N
XLogP12.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.79
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
9-(3-dibenzothiophen-4-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-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 140937295
9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-1-dibenzothiophen-4-ylcarbazole
CID 163852229
24-[4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122548782
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
11-(4,6-diphenylpyrimidin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 155790822
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole (CID 142571610) is 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1.
What is the InChIKey of 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The InChIKey is HOURWATXWFCJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3S/c1-3-14-29(15-4-1)37-27-38(30-16-5-2-6-17-30)46-44(45-37)47-39-26-25-28-13-7-8-18-31(28)41(39)36-23-11-20-33(42(36)47)35-22-12-21-34-32-19-9-10-24-40(32)48-43(34)35/h1-27H.
What are the key properties of 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole has a molecular weight of 629.79 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142571610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).