N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine

C53H35NO2 — CID 138583044

About N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine

N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine (PubChem CID 138583044) has the molecular formula C53H35NO2 and a molecular weight of 717.87 g/mol. Its IUPAC name is N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
• PubChem CID: 138583044
• Molecular Formula: C53H35NO2
• Molecular Weight: 717.87 g/mol
• Exact Mass: 717.27
• IUPAC Name: N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
• SMILES: C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1cc(-c2ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc2)ccc1O3
• InChI: InChI=1S/C53H35NO2/c1-2-14-38(15-3-1)54(40-28-24-34-12-4-5-13-36(34)30-40)39-26-22-35(23-27-39)37-25-29-49-50(31-37)56-52-33-48-44(32-51(52)55-49)43-18-8-11-21-47(43)53(48)45-19-9-6-16-41(45)42-17-7-10-20-46(42)53/h1-9,11-19,21-33H,10,20H2
• InChIKey: DXDSRRYBRCYMTH-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.87
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine?

The IUPAC name of N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine (CID 138583044) is N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine.

What is the SMILES notation for N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine?

The canonical SMILES for N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1cc(-c2ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc2)ccc1O3.

What is the InChIKey of N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine?

The InChIKey is DXDSRRYBRCYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO2/c1-2-14-38(15-3-1)54(40-28-24-34-12-4-5-13-36(34)30-40)39-26-22-35(23-27-39)37-25-29-49-50(31-37)56-52-33-48-44(32-51(52)55-49)43-18-8-11-21-47(43)53(48)45-19-9-6-16-41(45)42-17-7-10-20-46(42)53/h1-9,11-19,21-33H,10,20H2.

What are the key properties of N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine?

N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine has a molecular weight of 717.87 g/mol, XLogP of 14.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 138583044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).