5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C92H55BrN6O4 — CID 158114254

About 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 158114254) has the molecular formula C92H55BrN6O4 and a molecular weight of 1388.39 g/mol. Its IUPAC name is 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 158114254
• Molecular Formula: C92H55BrN6O4
• Molecular Weight: 1388.39 g/mol
• Exact Mass: 1386.35
• IUPAC Name: 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: Brc1cccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc2c(c1)[nH]c1ccc3c4ccccc4oc3c12
• InChI: InChI=1S/C46H27N3O2.C28H17BrN2O.C18H11NO/c1-2-12-28(13-3-1)46-47-37(27-38(48-46)35-20-11-19-33-31-16-5-8-22-41(31)50-44(33)35)29-14-10-15-30(26-29)49-39-21-7-4-18-36(39)43-40(49)25-24-34-32-17-6-9-23-42(32)51-45(34)43;29-20-11-6-10-19(16-20)24-17-25(31-28(30-24)18-8-2-1-3-9-18)23-14-7-13-22-21-12-4-5-15-26(21)32-27(22)23;1-3-7-14-13(6-1)17-15(19-14)10-9-12-11-5-2-4-8-16(11)20-18(12)17/h1-27H;1-17H;1-10,19H
• InChIKey: FQUOUVNRXDTMCO-UHFFFAOYSA-N
• XLogP: 25.73
• TPSA: 124.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1388.39
LogP ≤ 5	25.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 158114254) is 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is Brc1cccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc2c(c1)[nH]c1ccc3c4ccccc4oc3c12.

What is the InChIKey of 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is FQUOUVNRXDTMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O2.C28H17BrN2O.C18H11NO/c1-2-12-28(13-3-1)46-47-37(27-38(48-46)35-20-11-19-33-31-16-5-8-22-41(31)50-44(33)35)29-14-10-15-30(26-29)49-39-21-7-4-18-36(39)43-40(49)25-24-34-32-17-6-9-23-42(32)51-45(34)43;29-20-11-6-10-19(16-20)24-17-25(31-28(30-24)18-8-2-1-3-9-18)23-14-7-13-22-21-12-4-5-15-26(21)32-27(22)23;1-3-7-14-13(6-1)17-15(19-14)10-9-12-11-5-2-4-8-16(11)20-18(12)17/h1-27H;1-17H;1-10,19H.

What are the key properties of 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1388.39 g/mol, XLogP of 25.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5H-[1]benzofuro[3,2-c]carbazole;4-(3-bromophenyl)-6-dibenzofuran-4-yl-2-phenylpyrimidine;5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 158114254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).