N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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

C61H43FN2O — CID 137416677

About N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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 137416677) has the molecular formula C61H43FN2O and a molecular weight of 839.03 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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: 137416677
• Molecular Formula: C61H43FN2O
• Molecular Weight: 839.03 g/mol
• Exact Mass: 838.34
• IUPAC Name: N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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: CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(F)cccc23)cc1
• InChI: InChI=1S/C61H43FN2O/c1-60(2,3)39-32-34-41(35-33-39)64(54-30-16-24-46-45-23-15-27-51(62)58(45)65-59(46)54)55-37-50-57(44-22-10-9-21-43(44)55)56-42-20-8-7-17-38(42)31-36-49(56)61(50)47-25-11-13-28-52(47)63(40-18-5-4-6-19-40)53-29-14-12-26-48(53)61/h4-37H,1-3H3
• InChIKey: FTKSUQOLPUIRHK-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.03
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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 137416677) is N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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 CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(F)cccc23)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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 FTKSUQOLPUIRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43FN2O/c1-60(2,3)39-32-34-41(35-33-39)64(54-30-16-24-46-45-23-15-27-51(62)58(45)65-59(46)54)55-37-50-57(44-22-10-9-21-43(44)55)56-42-20-8-7-17-38(42)31-36-49(56)61(50)47-25-11-13-28-52(47)63(40-18-5-4-6-19-40)53-29-14-12-26-48(53)61/h4-37H,1-3H3.

What are the key properties of N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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 839.03 g/mol, XLogP of 16.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-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 137416677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).