1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine

C67H44N2O2 — CID 129309142

About 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine (PubChem CID 129309142) has the molecular formula C67H44N2O2 and a molecular weight of 909.10 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
• PubChem CID: 129309142
• Molecular Formula: C67H44N2O2
• Molecular Weight: 909.10 g/mol
• Exact Mass: 908.34
• IUPAC Name: 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6c(cc54)Oc4ccccc4O6)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C67H44N2O2/c1-4-16-45(17-5-1)46-28-33-51(34-29-46)69(54-39-37-53(38-40-54)68(49-18-6-2-7-19-49)50-20-8-3-9-21-50)52-35-30-47(31-36-52)48-32-41-57-55-22-10-12-24-59(55)67(61(57)42-48)60-25-13-11-23-56(60)58-43-65-66(44-62(58)67)71-64-27-15-14-26-63(64)70-65/h1-44H
• InChIKey: QFWFNCBJCUHJFO-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.10
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine?

The IUPAC name of 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine (CID 129309142) is 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine?

The canonical SMILES for 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6c(cc54)Oc4ccccc4O6)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine?

The InChIKey is QFWFNCBJCUHJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O2/c1-4-16-45(17-5-1)46-28-33-51(34-29-46)69(54-39-37-53(38-40-54)68(49-18-6-2-7-19-49)50-20-8-3-9-21-50)52-35-30-47(31-36-52)48-32-41-57-55-22-10-12-24-59(55)67(61(57)42-48)60-25-13-11-23-56(60)58-43-65-66(44-62(58)67)71-64-27-15-14-26-63(64)70-65/h1-44H.

What are the key properties of 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine?

1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine has a molecular weight of 909.10 g/mol, XLogP of 18.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 129309142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).