9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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

C63H54N2S2 — CID 137492913

About 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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 137492913) has the molecular formula C63H54N2S2 and a molecular weight of 903.27 g/mol. Its IUPAC name is 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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: 137492913
• Molecular Formula: C63H54N2S2
• Molecular Weight: 903.27 g/mol
• Exact Mass: 902.37
• IUPAC Name: 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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: CS(C)(C)c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1c(cc(N(c2ccccc2)c2ccccc2S(C)(C)C)c2ccccc12)C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C63H54N2S2/c1-66(2,3)59-35-21-19-33-56(59)64(44-23-9-7-10-24-44)46-38-40-47-43(41-46)37-39-52-61-51-30-14-13-29-50(51)58(65(45-25-11-8-12-26-45)57-34-20-22-36-60(57)67(4,5)6)42-55(61)63(62(47)52)53-31-17-15-27-48(53)49-28-16-18-32-54(49)63/h7-42H,1-6H3
• InChIKey: JUKVMBKYDSEZGJ-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.27
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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 137492913) is 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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 CS(C)(C)c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1c(cc(N(c2ccccc2)c2ccccc2S(C)(C)C)c2ccccc12)C31c2ccccc2-c2ccccc21.

What is the InChIKey of 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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 JUKVMBKYDSEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2S2/c1-66(2,3)59-35-21-19-33-56(59)64(44-23-9-7-10-24-44)46-38-40-47-43(41-46)37-39-52-61-51-30-14-13-29-50(51)58(65(45-25-11-8-12-26-45)57-34-20-22-36-60(57)67(4,5)6)42-55(61)63(62(47)52)53-31-17-15-27-48(53)49-28-16-18-32-54(49)63/h7-42H,1-6H3.

What are the key properties of 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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 903.27 g/mol, XLogP of 17.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[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 137492913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).