N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine

C81H70N4 — CID 88930171

About N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine

N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine (PubChem CID 88930171) has the molecular formula C81H70N4 and a molecular weight of 1099.48 g/mol. Its IUPAC name is N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine.

Molecular Properties

• Compound Name: N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine
• PubChem CID: 88930171
• Molecular Formula: C81H70N4
• Molecular Weight: 1099.48 g/mol
• Exact Mass: 1098.56
• IUPAC Name: N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine
• SMILES: CC1(C)c2cc(N(C3=CC4C(C=C3)n3c5c(c6c3C(=CC(C3=CC=CCC3)C6)C4(C)C)CCCC5)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)cc5c6ccccc6n-4c35)ccc2-n2c3ccccc3c3cc(-c4ccccc4)cc1c32
• InChI: InChI=1S/C81H70N4/c1-79(2)64-46-55(34-37-73(64)83-70-31-19-16-28-58(70)61-40-52(43-67(79)76(61)83)49-22-10-7-11-23-49)82(56-35-38-74-65(47-56)80(3,4)68-44-53(50-24-12-8-13-25-50)41-62-59-29-17-20-32-71(59)84(74)77(62)68)57-36-39-75-66(48-57)81(5,6)69-45-54(51-26-14-9-15-27-51)42-63-60-30-18-21-33-72(60)85(75)78(63)69/h7-14,16-17,19-20,22-26,28-29,31-32,34-41,43-48,54,66,75H,15,18,21,27,30,33,42H2,1-6H3
• InChIKey: NPAQFQTVPZOCIC-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.48
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine?

The IUPAC name of N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine (CID 88930171) is N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine.

What is the SMILES notation for N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine?

The canonical SMILES for N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine is CC1(C)c2cc(N(C3=CC4C(C=C3)n3c5c(c6c3C(=CC(C3=CC=CCC3)C6)C4(C)C)CCCC5)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)cc5c6ccccc6n-4c35)ccc2-n2c3ccccc3c3cc(-c4ccccc4)cc1c32.

What is the InChIKey of N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine?

The InChIKey is NPAQFQTVPZOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H70N4/c1-79(2)64-46-55(34-37-73(64)83-70-31-19-16-28-58(70)61-40-52(43-67(79)76(61)83)49-22-10-7-11-23-49)82(56-35-38-74-65(47-56)80(3,4)68-44-53(50-24-12-8-13-25-50)41-62-59-29-17-20-32-71(59)84(74)77(62)68)57-36-39-75-66(48-57)81(5,6)69-45-54(51-26-14-9-15-27-51)42-63-60-30-18-21-33-72(60)85(75)78(63)69/h7-14,16-17,19-20,22-26,28-29,31-32,34-41,43-48,54,66,75H,15,18,21,27,30,33,42H2,1-6H3.

What are the key properties of N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine?

N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine has a molecular weight of 1099.48 g/mol, XLogP of 20.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(10-cyclohexa-1,3-dien-1-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),8(20),11,15,17-pentaen-16-yl)-N-(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine is sourced from PubChem (CID 88930171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).