9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine

C57H36F2N2 — CID 137492835

About 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine

9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine (PubChem CID 137492835) has the molecular formula C57H36F2N2 and a molecular weight of 786.93 g/mol. Its IUPAC name is 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine.

Molecular Properties

• Compound Name: 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
• PubChem CID: 137492835
• Molecular Formula: C57H36F2N2
• Molecular Weight: 786.93 g/mol
• Exact Mass: 786.28
• IUPAC Name: 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
• SMILES: Fc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(cc(N(c3ccccc3)c3ccc(F)cc3)c3ccccc23)C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C57H36F2N2/c58-38-24-28-42(29-25-38)60(40-13-3-1-4-14-40)44-32-34-45-37(35-44)23-33-50-55-49-20-8-7-19-48(49)54(61(41-15-5-2-6-16-41)43-30-26-39(59)27-31-43)36-53(55)57(56(45)50)51-21-11-9-17-46(51)47-18-10-12-22-52(47)57/h1-36H
• InChIKey: AQIYLDNXJJLFEZ-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.93
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?

The IUPAC name of 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine (CID 137492835) is 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine.

What is the SMILES notation for 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?

The canonical SMILES for 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine is Fc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(cc(N(c3ccccc3)c3ccc(F)cc3)c3ccccc23)C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?

The InChIKey is AQIYLDNXJJLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F2N2/c58-38-24-28-42(29-25-38)60(40-13-3-1-4-14-40)44-32-34-45-37(35-44)23-33-50-55-49-20-8-7-19-48(49)54(61(41-15-5-2-6-16-41)43-30-26-39(59)27-31-43)36-53(55)57(56(45)50)51-21-11-9-17-46(51)47-18-10-12-22-52(47)57/h1-36H.

What are the key properties of 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?

9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine has a molecular weight of 786.93 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine is sourced from PubChem (CID 137492835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).