9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine

C71H45N3 — CID 138651858

About 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine

9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine (PubChem CID 138651858) has the molecular formula C71H45N3 and a molecular weight of 940.16 g/mol. Its IUPAC name is 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine.

Molecular Properties

• Compound Name: 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
• PubChem CID: 138651858
• Molecular Formula: C71H45N3
• Molecular Weight: 940.16 g/mol
• Exact Mass: 939.36
• IUPAC Name: 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
• SMILES: c1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5ccccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C71H45N3/c1-3-26-48(27-4-1)72(62-42-19-24-46-22-7-9-30-50(46)62)66-44-60-68(55-35-13-11-32-52(55)66)69-56-36-14-12-33-53(56)67(73(49-28-5-2-6-29-49)63-43-20-25-47-23-8-10-31-51(47)63)45-61(69)71(60)58-38-16-18-41-65(58)74-64-40-17-15-34-54(64)57-37-21-39-59(71)70(57)74/h1-45H
• InChIKey: MDPCMUPRQHDNMU-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.16
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The IUPAC name of 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine (CID 138651858) is 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine.

What is the SMILES notation for 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The canonical SMILES for 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine is c1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5ccccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The InChIKey is MDPCMUPRQHDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45N3/c1-3-26-48(27-4-1)72(62-42-19-24-46-22-7-9-30-50(46)62)66-44-60-68(55-35-13-11-32-52(55)66)69-56-36-14-12-33-53(56)67(73(49-28-5-2-6-29-49)63-43-20-25-47-23-8-10-31-51(47)63)45-61(69)71(60)58-38-16-18-41-65(58)74-64-40-17-15-34-54(64)57-37-21-39-59(71)70(57)74/h1-45H.

What are the key properties of 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine has a molecular weight of 940.16 g/mol, XLogP of 19.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-dinaphthalen-1-yl-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine is sourced from PubChem (CID 138651858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).