9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C51H32N4 — CID 146325473

About 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 146325473) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 146325473
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccc(-c4cc5ccccc5c5nc6ccccn6c45)cc3)c(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C51H32N4/c1-2-16-37(17-3-1)51-53-47(42-24-12-19-33-14-4-7-21-39(33)42)46(48(54-51)43-25-13-20-34-15-5-8-22-40(34)43)36-29-27-35(28-30-36)44-32-38-18-6-9-23-41(38)49-50(44)55-31-11-10-26-45(55)52-49/h1-32H
• InChIKey: GOHHGWRINJYSRL-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 146325473) is 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccc(-c4cc5ccccc5c5nc6ccccn6c45)cc3)c(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is GOHHGWRINJYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-16-37(17-3-1)51-53-47(42-24-12-19-33-14-4-7-21-39(33)42)46(48(54-51)43-25-13-20-34-15-5-8-22-40(34)43)36-29-27-35(28-30-36)44-32-38-18-6-9-23-41(38)49-50(44)55-31-11-10-26-45(55)52-49/h1-32H.

What are the key properties of 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 700.85 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 146325473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).