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

C46H28N4O — CID 134168984

IUPAC12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-13-29(14-4-1)46-47-37(30-23-24-34-33-18-9-12-22-41(33)51-42(34)27-30)28-43(48-46)50-38-20-10-7-17-32(38)35-25-26-40-44(45(35)50)36-19-8-11-21-39(36)49(40)31-15-5-2-6-16-31/h1-28H
InChIKeyNAGDGDVNNVYUML-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.90
Rot. Bonds4

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

12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 134168984) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID134168984
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-13-29(14-4-1)46-47-37(30-23-24-34-33-18-9-12-22-41(33)51-42(34)27-30)28-43(48-46)50-38-20-10-7-17-32(38)35-25-26-40-44(45(35)50)36-19-8-11-21-39(36)49(40)31-15-5-2-6-16-31/h1-28H
InChIKeyNAGDGDVNNVYUML-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

12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
11-[6-dibenzofuran-3-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole
CID 118154475
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965374
12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146281049
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168986
12-phenyl-5-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 166511987
9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-14-phenyl-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 169014621
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-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 169014536
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 162005226
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

Frequently Asked Questions

What is the IUPAC name of 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole (CID 134168984) is 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is NAGDGDVNNVYUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-3-13-29(14-4-1)46-47-37(30-23-24-34-33-18-9-12-22-41(33)51-42(34)27-30)28-43(48-46)50-38-20-10-7-17-32(38)35-25-26-40-44(45(35)50)36-19-8-11-21-39(36)49(40)31-15-5-2-6-16-31/h1-28H.
What are the key properties of 12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?
12-(6-dibenzofuran-3-yl-2-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-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134168984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).