14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

C50H30N2 — CID 130393909

About 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (PubChem CID 130393909) has the molecular formula C50H30N2 and a molecular weight of 658.80 g/mol. Its IUPAC name is 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

Molecular Properties

• Compound Name: 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• PubChem CID: 130393909
• Molecular Formula: C50H30N2
• Molecular Weight: 658.80 g/mol
• Exact Mass: 658.24
• IUPAC Name: 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)c(-c1ccc(-n2c4ccccc4c4ccccc42)cc1)nc1ccccc13
• InChI: InChI=1S/C50H30N2/c1-7-19-42-33(13-1)34-14-2-8-20-43(34)50(42)44-21-9-3-15-35(44)40-29-39-36-16-4-10-22-46(36)51-49(41(39)30-45(40)50)31-25-27-32(28-26-31)52-47-23-11-5-17-37(47)38-18-6-12-24-48(38)52/h1-30H
• InChIKey: XDFVTUBSPPSWEY-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.80
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The IUPAC name of 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (CID 130393909) is 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

What is the SMILES notation for 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The canonical SMILES for 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)c(-c1ccc(-n2c4ccccc4c4ccccc42)cc1)nc1ccccc13.

What is the InChIKey of 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The InChIKey is XDFVTUBSPPSWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2/c1-7-19-42-33(13-1)34-14-2-8-20-43(34)50(42)44-21-9-3-15-35(44)40-29-39-36-16-4-10-22-46(36)51-49(41(39)30-45(40)50)31-25-27-32(28-26-31)52-47-23-11-5-17-37(47)38-18-6-12-24-48(38)52/h1-30H.

What are the key properties of 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] has a molecular weight of 658.80 g/mol, XLogP of 12.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is sourced from PubChem (CID 130393909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).