2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline

C40H25NO2 — CID 138573721

About 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline

2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline (PubChem CID 138573721) has the molecular formula C40H25NO2 and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline.

Molecular Properties

• Compound Name: 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
• PubChem CID: 138573721
• Molecular Formula: C40H25NO2
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.19
• IUPAC Name: 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Oc2cccc(-c3ccc5ccccc5n3)c2O4)cc1
• InChI: InChI=1S/C40H25NO2/c1-3-13-27(14-4-1)40(28-15-5-2-6-16-28)32-19-9-8-17-29(32)31-24-37-38(25-33(31)40)42-36-21-11-18-30(39(36)43-37)35-23-22-26-12-7-10-20-34(26)41-35/h1-25H
• InChIKey: HQNHKTLWJWYTIT-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline?

The IUPAC name of 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline (CID 138573721) is 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline.

What is the SMILES notation for 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline?

The canonical SMILES for 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Oc2cccc(-c3ccc5ccccc5n3)c2O4)cc1.

What is the InChIKey of 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline?

The InChIKey is HQNHKTLWJWYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2/c1-3-13-27(14-4-1)40(28-15-5-2-6-16-28)32-19-9-8-17-29(32)31-24-37-38(25-33(31)40)42-36-21-11-18-30(39(36)43-37)35-23-22-26-12-7-10-20-34(26)41-35/h1-25H.

What are the key properties of 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline?

2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline has a molecular weight of 551.65 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline is sourced from PubChem (CID 138573721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).