14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C55H34N4 — CID 129122670

About 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 129122670) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 129122670
• Molecular Formula: C55H34N4
• Molecular Weight: 750.91 g/mol
• Exact Mass: 750.28
• IUPAC Name: 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
• InChI: InChI=1S/C55H34N4/c1-3-16-35(17-4-1)53-45-32-33-50-52(51(45)43-24-7-11-26-46(43)56-53)44-25-10-14-29-49(44)57(50)37-20-15-21-38(34-37)59-48-28-13-9-23-40(48)42-31-30-41-39-22-8-12-27-47(39)58(54(41)55(42)59)36-18-5-2-6-19-36/h1-34H
• InChIKey: RIFUYIAKSHCCBF-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.91
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 129122670) is 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1.

What is the InChIKey of 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is RIFUYIAKSHCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-3-16-35(17-4-1)53-45-32-33-50-52(51(45)43-24-7-11-26-46(43)56-53)44-25-10-14-29-49(44)57(50)37-20-15-21-38(34-37)59-48-28-13-9-23-40(48)42-31-30-41-39-22-8-12-27-47(39)58(54(41)55(42)59)36-18-5-2-6-19-36/h1-34H.

What are the key properties of 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 750.91 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 129122670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).