12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole

C163H100N12O5S — CID 159615614

IUPAC12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc(-c4ccccc4)n3)cc21.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C43H29N3O.C40H23N3O2.C40H23N3OS.C40H25N3O/c1-43(2)34-17-9-6-14-28(34)29-21-20-27(24-35(29)43)36-25-39(45-42(44-36)26-12-4-3-5-13-26)46-37-18-10-7-15-30(37)32-22-23-33-31-16-8-11-19-38(31)47-41(33)40(32)46;1-2-10-24(11-3-1)40-41-32(25-18-21-36-31(22-25)28-14-6-8-16-34(28)44-36)23-37(42-40)43-33-15-7-4-12-26(33)29-19-20-30-27-13-5-9-17-35(27)45-39(30)38(29)43;1-2-10-24(11-3-1)40-41-32(25-18-21-36-31(22-25)28-14-6-9-17-35(28)45-36)23-37(42-40)43-33-15-7-4-12-26(33)29-19-20-30-27-13-5-8-16-34(27)44-39(30)38(29)43;1-3-11-26(12-4-1)27-19-21-28(22-20-27)34-25-37(42-40(41-34)29-13-5-2-6-14-29)43-35-17-9-7-15-30(35)32-23-24-33-31-16-8-10-18-36(31)44-39(33)38(32)43/h3-25H,1-2H3;2*1-23H;1-25H
InChIKeyMNGASZPDMLLOHG-UHFFFAOYSA-N
MW2338.74 g/mol
LogP43.47
Rot. Bonds13

About 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole

12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 159615614) has the molecular formula C163H100N12O5S and a molecular weight of 2338.74 g/mol. Its IUPAC name is 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID159615614
Molecular FormulaC163H100N12O5S
Molecular Weight2338.74 g/mol
Exact Mass2336.77
IUPAC Name12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc(-c4ccccc4)n3)cc21.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C43H29N3O.C40H23N3O2.C40H23N3OS.C40H25N3O/c1-43(2)34-17-9-6-14-28(34)29-21-20-27(24-35(29)43)36-25-39(45-42(44-36)26-12-4-3-5-13-26)46-37-18-10-7-15-30(37)32-22-23-33-31-16-8-11-19-38(31)47-41(33)40(32)46;1-2-10-24(11-3-1)40-41-32(25-18-21-36-31(22-25)28-14-6-8-16-34(28)44-36)23-37(42-40)43-33-15-7-4-12-26(33)29-19-20-30-27-13-5-9-17-35(27)45-39(30)38(29)43;1-2-10-24(11-3-1)40-41-32(25-18-21-36-31(22-25)28-14-6-9-17-35(28)45-36)23-37(42-40)43-33-15-7-4-12-26(33)29-19-20-30-27-13-5-8-16-34(27)44-39(30)38(29)43;1-3-11-26(12-4-1)27-19-21-28(22-20-27)34-25-37(42-40(41-34)29-13-5-2-6-14-29)43-35-17-9-7-15-30(35)32-23-24-33-31-16-8-10-18-36(31)44-39(33)38(32)43/h3-25H,1-2H3;2*1-23H;1-25H
InChIKeyMNGASZPDMLLOHG-UHFFFAOYSA-N
XLogP43.47
TPSA188.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.74
LogP ≤ 543.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 90085608
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 158684626
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
11-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;5-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 161307539
5-(6-dibenzofuran-1-yl-2-dibenzothiophen-2-ylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327262
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(8-phenyldibenzofuran-4-yl)carbazole
CID 170080363
3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160548050
5-dibenzothiophen-2-yl-12-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252561
3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 160865913
9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-3-dibenzothiophen-2-ylcarbazole;10-(8-carbazol-9-yldibenzofuran-2-yl)-7-(4,6-diphenyl-2-pyridinyl)pyrazino[2,3-c]carbazole;3-dibenzofuran-2-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole;3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 158892899
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-18-phenyl-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene
CID 159872132
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014

Frequently Asked Questions

What is the IUPAC name of 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole (CID 159615614) is 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc(-c4ccccc4)n3)cc21.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1.
What is the InChIKey of 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is MNGASZPDMLLOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O.C40H23N3O2.C40H23N3OS.C40H25N3O/c1-43(2)34-17-9-6-14-28(34)29-21-20-27(24-35(29)43)36-25-39(45-42(44-36)26-12-4-3-5-13-26)46-37-18-10-7-15-30(37)32-22-23-33-31-16-8-11-19-38(31)47-41(33)40(32)46;1-2-10-24(11-3-1)40-41-32(25-18-21-36-31(22-25)28-14-6-8-16-34(28)44-36)23-37(42-40)43-33-15-7-4-12-26(33)29-19-20-30-27-13-5-9-17-35(27)45-39(30)38(29)43;1-2-10-24(11-3-1)40-41-32(25-18-21-36-31(22-25)28-14-6-9-17-35(28)45-36)23-37(42-40)43-33-15-7-4-12-26(33)29-19-20-30-27-13-5-8-16-34(27)44-39(30)38(29)43;1-3-11-26(12-4-1)27-19-21-28(22-20-27)34-25-37(42-40(41-34)29-13-5-2-6-14-29)43-35-17-9-7-15-30(35)32-23-24-33-31-16-8-10-18-36(31)44-39(33)38(32)43/h3-25H,1-2H3;2*1-23H;1-25H.
What are the key properties of 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole?
12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 2338.74 g/mol, XLogP of 43.47, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole;12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 159615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).