9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

C35H21N3Se — CID 140763397

About 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene (PubChem CID 140763397) has the molecular formula C35H21N3Se and a molecular weight of 562.53 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
• PubChem CID: 140763397
• Molecular Formula: C35H21N3Se
• Molecular Weight: 562.53 g/mol
• Exact Mass: 563.09
• IUPAC Name: 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-n4c5cnccc5c5c6[se]c7ccccc7c6ccc54)ccc32)cc1
• InChI: InChI=1S/C35H21N3Se/c1-2-8-22(9-3-1)37-29-12-6-4-10-24(29)28-20-23(14-16-30(28)37)38-31-17-15-26-25-11-5-7-13-33(25)39-35(26)34(31)27-18-19-36-21-32(27)38/h1-21H
• InChIKey: IFZJAQSGPWQDKN-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.53
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?

The IUPAC name of 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene (CID 140763397) is 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene.

What is the SMILES notation for 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?

The canonical SMILES for 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene is c1ccc(-n2c3ccccc3c3cc(-n4c5cnccc5c5c6[se]c7ccccc7c6ccc54)ccc32)cc1.

What is the InChIKey of 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?

The InChIKey is IFZJAQSGPWQDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3Se/c1-2-8-22(9-3-1)37-29-12-6-4-10-24(29)28-20-23(14-16-30(28)37)38-31-17-15-26-25-11-5-7-13-33(25)39-35(26)34(31)27-18-19-36-21-32(27)38/h1-21H.

What are the key properties of 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?

9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene has a molecular weight of 562.53 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene is sourced from PubChem (CID 140763397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).