5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine

C73H68N2S2 — CID 174248240

About 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine

5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine (PubChem CID 174248240) has the molecular formula C73H68N2S2 and a molecular weight of 1037.49 g/mol. Its IUPAC name is 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine.

Molecular Properties

• Compound Name: 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
• PubChem CID: 174248240
• Molecular Formula: C73H68N2S2
• Molecular Weight: 1037.49 g/mol
• Exact Mass: 1036.48
• IUPAC Name: 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(S(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccc(C(C)C)cc4)c4ccc(S(C)(C)C)cc4)ccc23)cc1
• InChI: InChI=1S/C73H68N2S2/c1-47(2)49-23-28-53(29-24-49)74(55-33-38-59(39-34-55)76(5,6)7)57-32-27-51-44-67-70(45-52(51)43-57)73(68-21-15-13-18-62(68)63-19-14-16-22-69(63)73)72-65-42-37-58(46-66(65)61-17-11-12-20-64(61)71(67)72)75(54-30-25-50(26-31-54)48(3)4)56-35-40-60(41-36-56)77(8,9)10/h11-48H,1-10H3
• InChIKey: GTERPZDAMJCAAY-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.49
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

The IUPAC name of 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine (CID 174248240) is 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine.

What is the SMILES notation for 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

The canonical SMILES for 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine is CC(C)c1ccc(N(c2ccc(S(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccc(C(C)C)cc4)c4ccc(S(C)(C)C)cc4)ccc23)cc1.

What is the InChIKey of 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

The InChIKey is GTERPZDAMJCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H68N2S2/c1-47(2)49-23-28-53(29-24-49)74(55-33-38-59(39-34-55)76(5,6)7)57-32-27-51-44-67-70(45-52(51)43-57)73(68-21-15-13-18-62(68)63-19-14-16-22-69(63)73)72-65-42-37-58(46-66(65)61-17-11-12-20-64(61)71(67)72)75(54-30-25-50(26-31-54)48(3)4)56-35-40-60(41-36-56)77(8,9)10/h11-48H,1-10H3.

What are the key properties of 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine has a molecular weight of 1037.49 g/mol, XLogP of 20.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine is sourced from PubChem (CID 174248240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).