9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene

C39H25N5 — CID 154646612

About 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene

9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene (PubChem CID 154646612) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene.

Molecular Properties

• Compound Name: 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
• PubChem CID: 154646612
• Molecular Formula: C39H25N5
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.21
• IUPAC Name: 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5nc6n(-c7ccccc7)c7ccccc7n6c54)ccc32)cc1
• InChI: InChI=1S/C39H25N5/c1-3-13-26(14-4-1)41-32-19-9-7-17-29(32)31-25-28(23-24-34(31)41)42-33-20-10-8-18-30(33)37-38(42)44-36-22-12-11-21-35(36)43(39(44)40-37)27-15-5-2-6-16-27/h1-25H
• InChIKey: HRUGYZUCVUYIJB-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 32.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.66
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?

The IUPAC name of 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene (CID 154646612) is 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene.

What is the SMILES notation for 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?

The canonical SMILES for 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5nc6n(-c7ccccc7)c7ccccc7n6c54)ccc32)cc1.

What is the InChIKey of 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?

The InChIKey is HRUGYZUCVUYIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-3-13-26(14-4-1)41-32-19-9-7-17-29(32)31-25-28(23-24-34(31)41)42-33-20-10-8-18-30(33)37-38(42)44-36-22-12-11-21-35(36)43(39(44)40-37)27-15-5-2-6-16-27/h1-25H.

What are the key properties of 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?

9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene has a molecular weight of 563.66 g/mol, XLogP of 9.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene is sourced from PubChem (CID 154646612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).