14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]

C56H33N3O — CID 164737379

About 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]

14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene] (PubChem CID 164737379) has the molecular formula C56H33N3O and a molecular weight of 763.90 g/mol. Its IUPAC name is 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene].

Molecular Properties

• Compound Name: 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]
• PubChem CID: 164737379
• Molecular Formula: C56H33N3O
• Molecular Weight: 763.90 g/mol
• Exact Mass: 763.26
• IUPAC Name: 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccc7c(-c8ccccc8)nc8ccccc8c7c5-6)nc4c3n2)cc1
• InChI: InChI=1S/C56H33N3O/c1-3-13-34(14-4-1)46-31-26-36-23-24-37-27-32-47(58-55(37)54(36)57-46)38-25-28-39-45(33-38)56(42-18-8-11-21-49(42)60-50-22-12-9-19-43(50)56)44-30-29-41-51(52(39)44)40-17-7-10-20-48(40)59-53(41)35-15-5-2-6-16-35/h1-33H
• InChIKey: JRIHXETXFMAVEC-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.90
LogP ≤ 5	13.95
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-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]?

The IUPAC name of 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene] (CID 164737379) is 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene].

What is the SMILES notation for 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]?

The canonical SMILES for 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene] is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccc7c(-c8ccccc8)nc8ccccc8c7c5-6)nc4c3n2)cc1.

What is the InChIKey of 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]?

The InChIKey is JRIHXETXFMAVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O/c1-3-13-34(14-4-1)46-31-26-36-23-24-37-27-32-47(58-55(37)54(36)57-46)38-25-28-39-45(33-38)56(42-18-8-11-21-49(42)60-50-22-12-9-19-43(50)56)44-30-29-41-51(52(39)44)40-17-7-10-20-48(40)59-53(41)35-15-5-2-6-16-35/h1-33H.

What are the key properties of 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]?

14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene] has a molecular weight of 763.90 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene] is sourced from PubChem (CID 164737379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).