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

C58H36N4O — CID 166874957

IUPAC12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c5c43)cc2)cc1
InChIInChI=1S/C58H36N4O/c1-3-14-37(15-4-1)38-26-29-42(30-27-38)61-52-23-10-7-20-44(52)48-32-33-49-45-21-8-11-24-53(45)62(57(49)56(48)61)43-19-13-18-41(34-43)58-59-50(39-16-5-2-6-17-39)36-51(60-58)40-28-31-47-46-22-9-12-25-54(46)63-55(47)35-40/h1-36H
InChIKeyMFGIOFYOCQNYSE-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.24
Rot. Bonds6

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

12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 166874957) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID166874957
Molecular FormulaC58H36N4O
Molecular Weight804.95 g/mol
Exact Mass804.29
IUPAC Name12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c5c43)cc2)cc1
InChIInChI=1S/C58H36N4O/c1-3-14-37(15-4-1)38-26-29-42(30-27-38)61-52-23-10-7-20-44(52)48-32-33-49-45-21-8-11-24-53(45)62(57(49)56(48)61)43-19-13-18-41(34-43)58-59-50(39-16-5-2-6-17-39)36-51(60-58)40-28-31-47-46-22-9-12-25-54(46)63-55(47)35-40/h1-36H
InChIKeyMFGIOFYOCQNYSE-UHFFFAOYSA-N
XLogP15.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014786
9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
CID 158049132
3-dibenzofuran-3-yl-9-[4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[4-[2-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158701376
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158922276
2-dibenzofuran-3-yl-9-[3-[6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 126631928
12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 161100572
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014829
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
12-dibenzofuran-4-yl-11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385260
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
12-[3-[2,6-bis[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126630911

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 166874957) is 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c5c43)cc2)cc1.
What is the InChIKey of 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is MFGIOFYOCQNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-3-14-37(15-4-1)38-26-29-42(30-27-38)61-52-23-10-7-20-44(52)48-32-33-49-45-21-8-11-24-53(45)62(57(49)56(48)61)43-19-13-18-41(34-43)58-59-50(39-16-5-2-6-17-39)36-51(60-58)40-28-31-47-46-22-9-12-25-54(46)63-55(47)35-40/h1-36H.
What are the key properties of 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 804.95 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 166874957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).