5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine

C65H48N2 — CID 140961980

About 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine

5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine (PubChem CID 140961980) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine.

Molecular Properties

• Compound Name: 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
• PubChem CID: 140961980
• Molecular Formula: C65H48N2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.38
• IUPAC Name: 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccccc3)c3ccc(C)c(C)c3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1C
• InChI: InChI=1S/C65H48N2/c1-41-31-33-47(37-43(41)3)66(45-19-7-5-8-20-45)49-35-36-56-57(39-49)50-23-11-13-27-54(50)62-58-40-61(67(46-21-9-6-10-22-46)48-34-32-42(2)44(4)38-48)53-26-12-14-28-55(53)63(58)65(64(56)62)59-29-17-15-24-51(59)52-25-16-18-30-60(52)65/h5-40H,1-4H3
• InChIKey: CLNIMGRDACMBCL-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	17.66
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',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

The IUPAC name of 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine (CID 140961980) is 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine.

What is the SMILES notation for 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

The canonical SMILES for 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccccc3)c3ccc(C)c(C)c3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1C.

What is the InChIKey of 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

The InChIKey is CLNIMGRDACMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-41-31-33-47(37-43(41)3)66(45-19-7-5-8-20-45)49-35-36-56-57(39-49)50-23-11-13-27-54(50)62-58-40-61(67(46-21-9-6-10-22-46)48-34-32-42(2)44(4)38-48)53-26-12-14-28-55(53)63(58)65(64(56)62)59-29-17-15-24-51(59)52-25-16-18-30-60(52)65/h5-40H,1-4H3.

What are the key properties of 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine has a molecular weight of 857.11 g/mol, XLogP of 17.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine is sourced from PubChem (CID 140961980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).