9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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

C67H51N3 — CID 137416879

About 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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 137416879) has the molecular formula C67H51N3 and a molecular weight of 898.17 g/mol. Its IUPAC name is 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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: 137416879
• Molecular Formula: C67H51N3
• Molecular Weight: 898.17 g/mol
• Exact Mass: 897.41
• IUPAC Name: 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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: Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C67H51N3/c1-44-26-34-49(35-27-44)68(50-36-28-45(2)29-37-50)63-42-59-65(55-20-10-8-18-53(55)63)66-56-21-11-9-19-54(56)64(69(51-38-30-46(3)31-39-51)52-40-32-47(4)33-41-52)43-60(66)67(59)57-22-12-14-24-61(57)70(48-16-6-5-7-17-48)62-25-15-13-23-58(62)67/h5-43H,1-4H3
• InChIKey: ZQADSVQLVYOGGM-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.17
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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 137416879) is 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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 Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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 ZQADSVQLVYOGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N3/c1-44-26-34-49(35-27-44)68(50-36-28-45(2)29-37-50)63-42-59-65(55-20-10-8-18-53(55)63)66-56-21-11-9-19-54(56)64(69(51-38-30-46(3)31-39-51)52-40-32-47(4)33-41-52)43-60(66)67(59)57-22-12-14-24-61(57)70(48-16-6-5-7-17-48)62-25-15-13-23-58(62)67/h5-43H,1-4H3.

What are the key properties of 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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 898.17 g/mol, XLogP of 18.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-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 137416879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).