8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C50H32N4O — CID 129301048

About 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 129301048) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 129301048
• Molecular Formula: C50H32N4O
• Molecular Weight: 704.83 g/mol
• Exact Mass: 704.26
• IUPAC Name: 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: C1=Cc2cccnc2C2NC(c3ccc(N4c5ccccc5-c5c(n(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)-c5ccccc54)cc3)=CC=C12
• InChI: InChI=1S/C50H32N4O/c1-5-15-42-38(12-1)47-39-13-2-6-16-43(39)54(35-26-27-37-36-11-4-8-18-45(36)55-46(37)30-35)50(47)40-14-3-7-17-44(40)53(42)34-24-21-31(22-25-34)41-28-23-33-20-19-32-10-9-29-51-48(32)49(33)52-41/h1-30,49,52H
• InChIKey: JNXSFLGFYXMGEF-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 46.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.83
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 129301048) is 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is C1=Cc2cccnc2C2NC(c3ccc(N4c5ccccc5-c5c(n(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)-c5ccccc54)cc3)=CC=C12.

What is the InChIKey of 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is JNXSFLGFYXMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-5-15-42-38(12-1)47-39-13-2-6-16-43(39)54(35-26-27-37-36-11-4-8-18-45(36)55-46(37)30-35)50(47)40-14-3-7-17-44(40)53(42)34-24-21-31(22-25-34)41-28-23-33-20-19-32-10-9-29-51-48(32)49(33)52-41/h1-30,49,52H.

What are the key properties of 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 704.83 g/mol, XLogP of 12.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1,10b-dihydro-1,10-phenanthrolin-2-yl)phenyl]-22-dibenzofuran-3-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 129301048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).