5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole

C52H32N4S — CID 130417437

IUPAC5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-14-34(15-4-1)44-32-45(35-16-5-2-6-17-35)54-52(53-44)56-47-24-11-8-19-39(47)43-30-48-42(31-49(43)56)38-18-7-10-23-46(38)55(48)36-28-26-33(27-29-36)37-21-13-22-41-40-20-9-12-25-50(40)57-51(37)41/h1-32H
InChIKeyPKJMPAOHLNLRHZ-UHFFFAOYSA-N
MW744.92 g/mol
LogP14.04
Rot. Bonds5

About 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole

5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole (PubChem CID 130417437) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
PubChem CID130417437
Molecular FormulaC52H32N4S
Molecular Weight744.92 g/mol
Exact Mass744.23
IUPAC Name5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-14-34(15-4-1)44-32-45(35-16-5-2-6-17-35)54-52(53-44)56-47-24-11-8-19-39(47)43-30-48-42(31-49(43)56)38-18-7-10-23-46(38)55(48)36-28-26-33(27-29-36)37-21-13-22-41-40-20-9-12-25-50(40)57-51(37)41/h1-32H
InChIKeyPKJMPAOHLNLRHZ-UHFFFAOYSA-N
XLogP14.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 162006588
11-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154634
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
11-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118154247
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
8-[8-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 118503299
11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154269
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
The IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole (CID 130417437) is 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
The InChIKey is PKJMPAOHLNLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-3-14-34(15-4-1)44-32-45(35-16-5-2-6-17-35)54-52(53-44)56-47-24-11-8-19-39(47)43-30-48-42(31-49(43)56)38-18-7-10-23-46(38)55(48)36-28-26-33(27-29-36)37-21-13-22-41-40-20-9-12-25-50(40)57-51(37)41/h1-32H.
What are the key properties of 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole has a molecular weight of 744.92 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 130417437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).