14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene

C45H29N — CID 166874979

About 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene

14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene (PubChem CID 166874979) has the molecular formula C45H29N and a molecular weight of 583.73 g/mol. Its IUPAC name is 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene.

Molecular Properties

• Compound Name: 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
• PubChem CID: 166874979
• Molecular Formula: C45H29N
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.23
• IUPAC Name: 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
• SMILES: c1ccc(-c2ccc3c(c2)c2cccc4c5c(-c6cc7c8c(c6)-c6ccccc6C8CCc6ccccc6-7)cccc5n3c24)cc1
• InChI: InChI=1S/C45H29N/c1-2-10-27(11-3-1)29-21-23-41-38(24-29)36-17-8-18-37-44-32(16-9-19-42(44)46(41)45(36)37)30-25-39-31-13-5-4-12-28(31)20-22-35-33-14-6-7-15-34(33)40(26-30)43(35)39/h1-19,21,23-26,35H,20,22H2
• InChIKey: SAMBUMZOACVQCM-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?

The IUPAC name of 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene (CID 166874979) is 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene.

What is the SMILES notation for 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?

The canonical SMILES for 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene is c1ccc(-c2ccc3c(c2)c2cccc4c5c(-c6cc7c8c(c6)-c6ccccc6C8CCc6ccccc6-7)cccc5n3c24)cc1.

What is the InChIKey of 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?

The InChIKey is SAMBUMZOACVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N/c1-2-10-27(11-3-1)29-21-23-41-38(24-29)36-17-8-18-37-44-32(16-9-19-42(44)46(41)45(36)37)30-25-39-31-13-5-4-12-28(31)20-22-35-33-14-6-7-15-34(33)40(26-30)43(35)39/h1-19,21,23-26,35H,20,22H2.

What are the key properties of 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?

14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene has a molecular weight of 583.73 g/mol, XLogP of 11.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene is sourced from PubChem (CID 166874979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).