5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C127H81N9O2 — CID 157262759

About 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 157262759) has the molecular formula C127H81N9O2 and a molecular weight of 1765.11 g/mol. Its IUPAC name is 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 157262759
• Molecular Formula: C127H81N9O2
• Molecular Weight: 1765.11 g/mol
• Exact Mass: 1763.65
• IUPAC Name: 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)n2)cc1.c1ccc(-c2ccnc(-c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)n2)cc1.c1ccc(C2c3ccccc3-c3ccc4c(c32)c2ccc(-c3ccc(-c5ncccn5)cc3)cc2n4-c2ccccc2)cc1
• InChI: InChI=1S/C46H29N3O.C41H27N3.C40H25N3O/c1-4-13-30(14-5-1)39-29-40(31-15-6-2-7-16-31)48-46(47-39)34-18-12-17-32(27-34)33-23-24-38-42(28-33)49(35-19-8-3-9-20-35)41-26-25-37-36-21-10-11-22-43(36)50-45(37)44(38)41;1-3-10-28(11-4-1)38-33-15-8-7-14-32(33)34-22-23-36-39(40(34)38)35-21-20-30(26-37(35)44(36)31-12-5-2-6-13-31)27-16-18-29(19-17-27)41-42-24-9-25-43-41;1-3-10-26(11-4-1)34-22-23-41-40(42-34)29-13-9-12-27(24-29)28-18-19-33-36(25-28)43(30-14-5-2-6-15-30)35-21-20-32-31-16-7-8-17-37(31)44-39(32)38(33)35/h1-29H;1-26,38H;1-25H
• InChIKey: AXQOVBHLXGEYGK-UHFFFAOYSA-N
• XLogP: 32.68
• TPSA: 118.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.11
LogP ≤ 5	32.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 157262759) is 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)n2)cc1.c1ccc(-c2ccnc(-c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)n2)cc1.c1ccc(C2c3ccccc3-c3ccc4c(c32)c2ccc(-c3ccc(-c5ncccn5)cc3)cc2n4-c2ccccc2)cc1.

What is the InChIKey of 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is AXQOVBHLXGEYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.C41H27N3.C40H25N3O/c1-4-13-30(14-5-1)39-29-40(31-15-6-2-7-16-31)48-46(47-39)34-18-12-17-32(27-34)33-23-24-38-42(28-33)49(35-19-8-3-9-20-35)41-26-25-37-36-21-10-11-22-43(36)50-45(37)44(38)41;1-3-10-28(11-4-1)38-33-15-8-7-14-32(33)34-22-23-36-39(40(34)38)35-21-20-30(26-37(35)44(36)31-12-5-2-6-13-31)27-16-18-29(19-17-27)41-42-24-9-25-43-41;1-3-10-26(11-4-1)34-22-23-41-40(42-34)29-13-9-12-27(24-29)28-18-19-33-36(25-28)43(30-14-5-2-6-15-30)35-21-20-32-31-16-7-8-17-37(31)44-39(32)38(33)35/h1-29H;1-26,38H;1-25H.

What are the key properties of 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1765.11 g/mol, XLogP of 32.68, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 157262759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).