14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]

C54H37N3O2 — CID 138577506

About 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]

14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] (PubChem CID 138577506) has the molecular formula C54H37N3O2 and a molecular weight of 759.91 g/mol. Its IUPAC name is 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene].

Molecular Properties

• Compound Name: 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
• PubChem CID: 138577506
• Molecular Formula: C54H37N3O2
• Molecular Weight: 759.91 g/mol
• Exact Mass: 759.29
• IUPAC Name: 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
• SMILES: CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C4(c5cc6c7ccccc7n(-c7ccccc7)c6cc53)c3ccoc3-c3occc34)cc2)c2ccccc21
• InChI: InChI=1S/C54H37N3O2/c1-53(2)39-17-7-11-21-46(39)56(47-22-12-8-18-40(47)53)35-24-26-36(27-25-35)57-48-23-13-9-19-41(48)54(42-28-30-58-51(42)52-43(54)29-31-59-52)44-32-38-37-16-6-10-20-45(37)55(49(38)33-50(44)57)34-14-4-3-5-15-34/h3-33H,1-2H3
• InChIKey: RWLKDOZKQICEAA-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.91
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?

The IUPAC name of 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] (CID 138577506) is 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene].

What is the SMILES notation for 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?

The canonical SMILES for 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] is CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C4(c5cc6c7ccccc7n(-c7ccccc7)c6cc53)c3ccoc3-c3occc34)cc2)c2ccccc21.

What is the InChIKey of 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?

The InChIKey is RWLKDOZKQICEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O2/c1-53(2)39-17-7-11-21-46(39)56(47-22-12-8-18-40(47)53)35-24-26-36(27-25-35)57-48-23-13-9-19-41(48)54(42-28-30-58-51(42)52-43(54)29-31-59-52)44-32-38-37-16-6-10-20-45(37)55(49(38)33-50(44)57)34-14-4-3-5-15-34/h3-33H,1-2H3.

What are the key properties of 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?

14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] has a molecular weight of 759.91 g/mol, XLogP of 14.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] is sourced from PubChem (CID 138577506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).