5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine

C51H36N2 — CID 102322828

About 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine

5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine (PubChem CID 102322828) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine.

Molecular Properties

• Compound Name: 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine
• PubChem CID: 102322828
• Molecular Formula: C51H36N2
• Molecular Weight: 676.86 g/mol
• Exact Mass: 676.29
• IUPAC Name: 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine
• SMILES: C1=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2C2(c3cc(N(c4ccccc4)c4ccccc4)ccc31)c1ccccc1-c1ccccc12
• InChI: InChI=1S/C51H36N2/c1-5-17-39(18-6-1)52(40-19-7-2-8-20-40)43-33-31-37-29-30-38-32-34-44(53(41-21-9-3-10-22-41)42-23-11-4-12-24-42)36-50(38)51(49(37)35-43)47-27-15-13-25-45(47)46-26-14-16-28-48(46)51/h1-36H
• InChIKey: DUWNJYOPLYFXSH-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.86
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine?

The IUPAC name of 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine (CID 102322828) is 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine.

What is the SMILES notation for 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine?

The canonical SMILES for 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine is C1=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2C2(c3cc(N(c4ccccc4)c4ccccc4)ccc31)c1ccccc1-c1ccccc12.

What is the InChIKey of 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine?

The InChIKey is DUWNJYOPLYFXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-5-17-39(18-6-1)52(40-19-7-2-8-20-40)43-33-31-37-29-30-38-32-34-44(53(41-21-9-3-10-22-41)42-23-11-4-12-24-42)36-50(38)51(49(37)35-43)47-27-15-13-25-45(47)46-26-14-16-28-48(46)51/h1-36H.

What are the key properties of 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine?

5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine has a molecular weight of 676.86 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine is sourced from PubChem (CID 102322828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).