12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C51H32N2 — CID 129065199

About 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 129065199) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 129065199
• Molecular Formula: C51H32N2
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.26
• IUPAC Name: 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1
• InChI: InChI=1S/C51H32N2/c1-3-14-37-28-40(22-20-33(37)10-1)46-31-42(32-47(52-46)41-23-21-34-11-2-4-15-38(34)29-41)39-16-9-17-43(30-39)53-48-26-24-35-12-5-7-18-44(35)50(48)51-45-19-8-6-13-36(45)25-27-49(51)53/h1-32H
• InChIKey: VRDPMHYXWOCFPH-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 129065199) is 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1.

What is the InChIKey of 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is VRDPMHYXWOCFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-3-14-37-28-40(22-20-33(37)10-1)46-31-42(32-47(52-46)41-23-21-34-11-2-4-15-38(34)29-41)39-16-9-17-43(30-39)53-48-26-24-35-12-5-7-18-44(35)50(48)51-45-19-8-6-13-36(45)25-27-49(51)53/h1-32H.

What are the key properties of 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 672.83 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 129065199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).