9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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

C52H34N2 — CID 118318953

About 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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 118318953) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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: 118318953
• Molecular Formula: C52H34N2
• Molecular Weight: 686.86 g/mol
• Exact Mass: 686.27
• IUPAC Name: 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc(-c7ccccc7)cc7ccccc67)c5ccc43)c2)cc1
• InChI: InChI=1S/C52H34N2/c1-4-16-35(17-5-1)39-31-40(36-18-6-2-7-19-36)33-42(32-39)53-46-26-14-12-24-44(46)51-48(53)28-29-49-52(51)45-25-13-15-27-47(45)54(49)50-34-41(37-20-8-3-9-21-37)30-38-22-10-11-23-43(38)50/h1-34H
• InChIKey: RWRHPRIDBQVQJA-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.86
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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 118318953) is 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc(-c7ccccc7)cc7ccccc67)c5ccc43)c2)cc1.

What is the InChIKey of 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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 RWRHPRIDBQVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-4-16-35(17-5-1)39-31-40(36-18-6-2-7-19-36)33-42(32-39)53-46-26-14-12-24-44(46)51-48(53)28-29-49-52(51)45-25-13-15-27-47(45)54(49)50-34-41(37-20-8-3-9-21-37)30-38-22-10-11-23-43(38)50/h1-34H.

What are the key properties of 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-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 118318953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).