9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C50H32N2 — CID 172545561

About 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 172545561) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 172545561
• Molecular Formula: C50H32N2
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.26
• IUPAC Name: 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)cc3c2)cc1
• InChI: InChI=1S/C50H32N2/c1-3-13-33(14-4-1)37-29-38-31-40(25-26-41(38)44(32-37)35-16-5-2-6-17-35)52-46-22-12-10-20-43(46)50-48(52)28-27-47-49(50)42-19-9-11-21-45(42)51(47)39-24-23-34-15-7-8-18-36(34)30-39/h1-32H
• InChIKey: BCEZFFUYQFMWQK-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 172545561) is 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccccc3)c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)cc3c2)cc1.

What is the InChIKey of 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is BCEZFFUYQFMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-13-33(14-4-1)37-29-38-31-40(25-26-41(38)44(32-37)35-16-5-2-6-17-35)52-46-22-12-10-20-43(46)50-48(52)28-27-47-49(50)42-19-9-11-21-45(42)51(47)39-24-23-34-15-7-8-18-36(34)30-39/h1-32H.

What are the key properties of 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5,7-diphenylnaphthalen-2-yl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 172545561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).