N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine

C55H35NO2 — CID 138582243

About N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine

N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine (PubChem CID 138582243) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine
• PubChem CID: 138582243
• Molecular Formula: C55H35NO2
• Molecular Weight: 741.89 g/mol
• Exact Mass: 741.27
• IUPAC Name: N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc3c2Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
• InChI: InChI=1S/C55H35NO2/c1-3-18-36(19-4-1)38-22-7-8-23-39(38)43-27-12-16-31-49(43)56(37-20-5-2-6-21-37)50-32-17-33-51-54(50)58-52-34-44-42-26-11-15-30-47(42)55(48(44)35-53(52)57-51)45-28-13-9-24-40(45)41-25-10-14-29-46(41)55/h1-35H
• InChIKey: YEEZSSLWWXFVAC-UHFFFAOYSA-N
• XLogP: 14.73
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.89
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine?

The IUPAC name of N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine (CID 138582243) is N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine.

What is the SMILES notation for N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine?

The canonical SMILES for N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc3c2Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1.

What is the InChIKey of N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine?

The InChIKey is YEEZSSLWWXFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-3-18-36(19-4-1)38-22-7-8-23-39(38)43-27-12-16-31-49(43)56(37-20-5-2-6-21-37)50-32-17-33-51-54(50)58-52-34-44-42-26-11-15-30-47(42)55(48(44)35-53(52)57-51)45-28-13-9-24-40(45)41-25-10-14-29-46(41)55/h1-35H.

What are the key properties of N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine?

N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine has a molecular weight of 741.89 g/mol, XLogP of 14.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[2-(2-phenylphenyl)phenyl]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]-19-amine is sourced from PubChem (CID 138582243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).