19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]

C60H35N3O2 — CID 146615594

About 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]

19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] (PubChem CID 146615594) has the molecular formula C60H35N3O2 and a molecular weight of 829.96 g/mol. Its IUPAC name is 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene].

Molecular Properties

• Compound Name: 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
• PubChem CID: 146615594
• Molecular Formula: C60H35N3O2
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.27
• IUPAC Name: 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
• SMILES: c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5ccc6c(c5c4c3)-c3ccccc3C63c4ccccc4Oc4ccccc43)cc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C60H35N3O2/c1-3-16-36(17-4-1)57-43-31-32-48-56(41-21-7-9-24-45(41)60(48)46-25-10-13-28-53(46)64-54-29-14-11-26-47(54)60)55(43)44-34-38(30-33-49(44)61-57)50-35-51(63-59(62-50)37-18-5-2-6-19-37)42-23-15-22-40-39-20-8-12-27-52(39)65-58(40)42/h1-35H
• InChIKey: GQEFQZGXBYDIRI-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 61.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.96
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

The IUPAC name of 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] (CID 146615594) is 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene].

What is the SMILES notation for 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

The canonical SMILES for 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] is c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5ccc6c(c5c4c3)-c3ccccc3C63c4ccccc4Oc4ccccc43)cc(-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

The InChIKey is GQEFQZGXBYDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O2/c1-3-16-36(17-4-1)57-43-31-32-48-56(41-21-7-9-24-45(41)60(48)46-25-10-13-28-53(46)64-54-29-14-11-26-47(54)60)55(43)44-34-38(30-33-49(44)61-57)50-35-51(63-59(62-50)37-18-5-2-6-19-37)42-23-15-22-40-39-20-8-12-27-52(39)65-58(40)42/h1-35H.

What are the key properties of 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] has a molecular weight of 829.96 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] is sourced from PubChem (CID 146615594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).