12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole

C46H28N4O — CID 134168986

IUPAC12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-14-29(15-4-1)37-28-42(48-46(47-37)36-22-13-21-34-32-19-9-12-25-41(32)51-45(34)36)50-38-23-10-7-18-31(38)33-26-27-40-43(44(33)50)35-20-8-11-24-39(35)49(40)30-16-5-2-6-17-30/h1-28H
InChIKeyJMLCHLMJBAVQPV-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.90
Rot. Bonds4

About 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole

12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 134168986) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID134168986
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-14-29(15-4-1)37-28-42(48-46(47-37)36-22-13-21-34-32-19-9-12-25-41(32)51-45(34)36)50-38-23-10-7-18-31(38)33-26-27-40-43(44(33)50)35-20-8-11-24-39(35)49(40)30-16-5-2-6-17-30/h1-28H
InChIKeyJMLCHLMJBAVQPV-UHFFFAOYSA-N
XLogP11.90
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole;12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 159993428
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158564648
12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168984
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 118154104
2-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 158000888
12-phenyl-5-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169014994
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
5-phenyl-12-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169014966
11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 159307474
5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 157316806

Frequently Asked Questions

What is the IUPAC name of 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole (CID 134168986) is 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is JMLCHLMJBAVQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-3-14-29(15-4-1)37-28-42(48-46(47-37)36-22-13-21-34-32-19-9-12-25-41(32)51-45(34)36)50-38-23-10-7-18-31(38)33-26-27-40-43(44(33)50)35-20-8-11-24-39(35)49(40)30-16-5-2-6-17-30/h1-28H.
What are the key properties of 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 652.76 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134168986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).