11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole

C52H32N4S — CID 121385337

IUPAC11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H32N4S/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)45-32-44(35-15-5-2-6-16-35)53-52(54-45)56-47-21-11-8-18-39(47)42-29-28-41-38-17-7-10-20-46(38)55(50(41)51(42)56)37-27-30-49-43(31-37)40-19-9-12-22-48(40)57-49/h1-32H
InChIKeyGLRPXKPXOHNTEL-UHFFFAOYSA-N
MW744.92 g/mol
LogP14.04
Rot. Bonds5

About 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole

11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole (PubChem CID 121385337) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
PubChem CID121385337
Molecular FormulaC52H32N4S
Molecular Weight744.92 g/mol
Exact Mass744.23
IUPAC Name11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H32N4S/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)45-32-44(35-15-5-2-6-16-35)53-52(54-45)56-47-21-11-8-18-39(47)42-29-28-41-38-17-7-10-20-46(38)55(50(41)51(42)56)37-27-30-49-43(31-37)40-19-9-12-22-48(40)57-49/h1-32H
InChIKeyGLRPXKPXOHNTEL-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

11-dibenzothiophen-2-yl-12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385334
3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729495
12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165566
12-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888286
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 118242933
2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 134236738
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 166591679
12-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156554624
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(3-isocyanophenyl)-6-phenylpyrimidin-2-yl]carbazole
CID 123538848

Frequently Asked Questions

What is the IUPAC name of 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole (CID 121385337) is 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c54)n3)cc2)cc1.
What is the InChIKey of 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is GLRPXKPXOHNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)45-32-44(35-15-5-2-6-16-35)53-52(54-45)56-47-21-11-8-18-39(47)42-29-28-41-38-17-7-10-20-46(38)55(50(41)51(42)56)37-27-30-49-43(31-37)40-19-9-12-22-48(40)57-49/h1-32H.
What are the key properties of 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]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 11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 121385337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).