5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C52H33N3O2 — CID 168783937

About 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 168783937) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 168783937
• Molecular Formula: C52H33N3O2
• Molecular Weight: 731.86 g/mol
• Exact Mass: 731.26
• IUPAC Name: 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=Cc2oc3c(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c(-c5ccccc5)c4)nc(-c4ccccc4)nc3c2CC1
• InChI: InChI=1S/C52H33N3O2/c1-4-16-32(17-5-1)40-30-35(47-51-48(39-24-12-15-27-45(39)57-51)54-52(53-47)34-20-8-3-9-21-34)31-41(33-18-6-2-7-19-33)49(40)55-42-25-13-10-23-38(42)46-43(55)29-28-37-36-22-11-14-26-44(36)56-50(37)46/h1-11,13-23,25-31H,12,24H2
• InChIKey: HMQZMEPVOXBMRN-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 56.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.86
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 168783937) is 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is C1=Cc2oc3c(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c(-c5ccccc5)c4)nc(-c4ccccc4)nc3c2CC1.

What is the InChIKey of 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is HMQZMEPVOXBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-4-16-32(17-5-1)40-30-35(47-51-48(39-24-12-15-27-45(39)57-51)54-52(53-47)34-20-8-3-9-21-34)31-41(33-18-6-2-7-19-33)49(40)55-42-25-13-10-23-38(42)46-43(55)29-28-37-36-22-11-14-26-44(36)56-50(37)46/h1-11,13-23,25-31H,12,24H2.

What are the key properties of 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 731.86 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-diphenyl-4-(2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 168783937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).