12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

C52H33N5 — CID 162363133

IUPAC12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C52H33N5/c1-3-17-34(18-4-1)52-53-43(33-49(54-52)56-45-27-13-7-21-36(45)37-22-8-14-28-46(37)56)42-25-11-16-30-48(42)57-47-29-15-10-24-39(47)41-32-31-40-38-23-9-12-26-44(38)55(50(40)51(41)57)35-19-5-2-6-20-35/h1-33H
InChIKeyZFZGKKHFMYVBFG-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.10
Rot. Bonds5

About 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 162363133) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID162363133
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C52H33N5/c1-3-17-34(18-4-1)52-53-43(33-49(54-52)56-45-27-13-7-21-36(45)37-22-8-14-28-46(37)56)42-25-11-16-30-48(42)57-47-29-15-10-24-39(47)41-32-31-40-38-23-9-12-26-44(38)55(50(40)51(41)57)35-19-5-2-6-20-35/h1-33H
InChIKeyZFZGKKHFMYVBFG-UHFFFAOYSA-N
XLogP13.10
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 159277893
11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
11-(4-phenylphenyl)-12-[2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 174179607
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 90085719
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541

Frequently Asked Questions

What is the IUPAC name of 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 162363133) is 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is ZFZGKKHFMYVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-3-17-34(18-4-1)52-53-43(33-49(54-52)56-45-27-13-7-21-36(45)37-22-8-14-28-46(37)56)42-25-11-16-30-48(42)57-47-29-15-10-24-39(47)41-32-31-40-38-23-9-12-26-44(38)55(50(40)51(41)57)35-19-5-2-6-20-35/h1-33H.
What are the key properties of 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 727.87 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 162363133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).