N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

C45H28FN — CID 137494887

About N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (PubChem CID 137494887) has the molecular formula C45H28FN and a molecular weight of 601.72 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
• PubChem CID: 137494887
• Molecular Formula: C45H28FN
• Molecular Weight: 601.72 g/mol
• Exact Mass: 601.22
• IUPAC Name: N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
• SMILES: Fc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C45H28FN/c46-30-23-25-32(26-24-30)47(31-13-2-1-3-14-31)42-28-41-44(37-19-7-6-18-36(37)42)43-33-15-5-4-12-29(33)22-27-40(43)45(41)38-20-10-8-16-34(38)35-17-9-11-21-39(35)45/h1-28H
• InChIKey: OEFLPLUHIYAVTF-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.72
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The IUPAC name of N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (CID 137494887) is N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

What is the SMILES notation for N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The canonical SMILES for N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is Fc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The InChIKey is OEFLPLUHIYAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28FN/c46-30-23-25-32(26-24-30)47(31-13-2-1-3-14-31)42-28-41-44(37-19-7-6-18-36(37)42)43-33-15-5-4-12-29(33)22-27-40(43)45(41)38-20-10-8-16-34(38)35-17-9-11-21-39(35)45/h1-28H.

What are the key properties of N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine has a molecular weight of 601.72 g/mol, XLogP of 11.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is sourced from PubChem (CID 137494887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).