9-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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 170928012

About 9-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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 170928012) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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: 170928012
• Molecular Formula: C50H32N2
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.26
• IUPAC Name: 9-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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(-c2ccc3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7-c7ccccc7)c6ccc54)cc3c2)cc1
• InChI: InChI=1S/C50H32N2/c1-3-13-33(14-4-1)37-24-23-34-25-27-39(32-38(34)31-37)51-43-21-11-9-19-41(43)49-46(51)29-30-47-50(49)42-20-10-12-22-44(42)52(47)45-28-26-35-15-7-8-18-40(35)48(45)36-16-5-2-6-17-36/h1-32H
• InChIKey: ZKWPOHOQRKWYDJ-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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 170928012) is 9-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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(-c2ccc3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7-c7ccccc7)c6ccc54)cc3c2)cc1.

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

What are the key properties of 9-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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-(1-phenylnaphthalen-2-yl)-14-(7-phenylnaphthalen-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 170928012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).