N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine

C58H41NO2 — CID 138581217

About N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine

N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine (PubChem CID 138581217) has the molecular formula C58H41NO2 and a molecular weight of 783.97 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine
• PubChem CID: 138581217
• Molecular Formula: C58H41NO2
• Molecular Weight: 783.97 g/mol
• Exact Mass: 783.31
• IUPAC Name: N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine
• SMILES: CC1(C)c2ccccc2C2=C(c3ccc(N(c4ccccc4)c4ccc5c(c4)Oc4cc6c(cc4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)C=CCC21
• InChI: InChI=1S/C58H41NO2/c1-57(2)46-22-10-9-20-44(46)56-40(21-14-26-50(56)57)36-27-29-38(30-28-36)59(37-15-4-3-5-16-37)39-31-32-52-53(33-39)61-55-35-51-45(34-54(55)60-52)43-19-8-13-25-49(43)58(51)47-23-11-6-17-41(47)42-18-7-12-24-48(42)58/h3-25,27-35,50H,26H2,1-2H3
• InChIKey: WTKPMSRKCQTOHG-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.97
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine?

The IUPAC name of N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine (CID 138581217) is N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine.

What is the SMILES notation for N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine?

The canonical SMILES for N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine is CC1(C)c2ccccc2C2=C(c3ccc(N(c4ccccc4)c4ccc5c(c4)Oc4cc6c(cc4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)C=CCC21.

What is the InChIKey of N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine?

The InChIKey is WTKPMSRKCQTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO2/c1-57(2)46-22-10-9-20-44(46)56-40(21-14-26-50(56)57)36-27-29-38(30-28-36)59(37-15-4-3-5-16-37)39-31-32-52-53(33-39)61-55-35-51-45(34-54(55)60-52)43-19-8-13-25-49(43)58(51)47-23-11-6-17-41(47)42-18-7-12-24-48(42)58/h3-25,27-35,50H,26H2,1-2H3.

What are the key properties of N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine?

N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine has a molecular weight of 783.97 g/mol, XLogP of 15.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethyl-1,9a-dihydrofluoren-4-yl)phenyl]-N-phenylspiro[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-10,9'-fluorene]-17-amine is sourced from PubChem (CID 138581217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).