10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C55H34N4 — CID 129122750

About 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 129122750) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 129122750
• Molecular Formula: C55H34N4
• Molecular Weight: 750.91 g/mol
• Exact Mass: 750.28
• IUPAC Name: 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-n3c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c53)c2)nc2ccccc24)cc1
• InChI: InChI=1S/C55H34N4/c1-3-17-36(18-4-1)57-49-27-12-10-25-42(49)46-33-45-39-22-7-11-26-48(39)56-53(47(45)34-52(46)57)35-16-15-21-38(32-35)59-51-29-14-9-24-41(51)44-31-30-43-40-23-8-13-28-50(40)58(54(43)55(44)59)37-19-5-2-6-20-37/h1-34H
• InChIKey: DFWUPCQFJCISBE-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 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 129122750) is 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-n3c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c53)c2)nc2ccccc24)cc1.

What is the InChIKey of 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

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

What are the key properties of 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-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 10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 129122750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).