10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene

C34H20N6 — CID 140920342

About 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene

10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene (PubChem CID 140920342) has the molecular formula C34H20N6 and a molecular weight of 512.58 g/mol. Its IUPAC name is 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene.

Molecular Properties

• Compound Name: 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
• PubChem CID: 140920342
• Molecular Formula: C34H20N6
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.17
• IUPAC Name: 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
• SMILES: c1ccc2c(c1)-c1ccc(-n3c4ncccc4n4c5ccccc5nc34)cc1-c1cccnc1-c1ncccc1-2
• InChI: InChI=1S/C34H20N6/c1-2-9-23-22(8-1)24-16-15-21(20-27(24)26-11-6-18-36-32(26)31-25(23)10-5-17-35-31)39-33-30(14-7-19-37-33)40-29-13-4-3-12-28(29)38-34(39)40/h1-20H/b24-22-,25-23-,27-26-,32-31-
• InChIKey: XVDTVWNZMLAGBP-DYSDRAJKSA-N
• XLogP: 7.60
• TPSA: 60.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene?

The IUPAC name of 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene (CID 140920342) is 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene.

What is the SMILES notation for 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene?

The canonical SMILES for 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene is c1ccc2c(c1)-c1ccc(-n3c4ncccc4n4c5ccccc5nc34)cc1-c1cccnc1-c1ncccc1-2.

What is the InChIKey of 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene?

The InChIKey is XVDTVWNZMLAGBP-DYSDRAJKSA-N. The full InChI is InChI=1S/C34H20N6/c1-2-9-23-22(8-1)24-16-15-21(20-27(24)26-11-6-18-36-32(26)31-25(23)10-5-17-35-31)39-33-30(14-7-19-37-33)40-29-13-4-3-12-28(29)38-34(39)40/h1-20H/b24-22-,25-23-,27-26-,32-31-.

What are the key properties of 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene?

10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene has a molecular weight of 512.58 g/mol, XLogP of 7.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene is sourced from PubChem (CID 140920342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).