N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine

C47H33N — CID 137494328

About N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine

N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine (PubChem CID 137494328) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
• PubChem CID: 137494328
• Molecular Formula: C47H33N
• Molecular Weight: 611.79 g/mol
• Exact Mass: 611.26
• IUPAC Name: N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
• SMILES: CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)cc1
• InChI: InChI=1S/C47H33N/c1-2-31-20-24-36(25-21-31)48(35-13-4-3-5-14-35)37-26-22-33-29-41-45(30-34(33)28-37)47(44-27-23-32-12-6-7-15-38(32)46(41)44)42-18-10-8-16-39(42)40-17-9-11-19-43(40)47/h3-30H,2H2,1H3
• InChIKey: AIGZYRUACPIAJU-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.79
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine?

The IUPAC name of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine (CID 137494328) is N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine.

What is the SMILES notation for N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine?

The canonical SMILES for N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine is CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)cc1.

What is the InChIKey of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine?

The InChIKey is AIGZYRUACPIAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-2-31-20-24-36(25-21-31)48(35-13-4-3-5-14-35)37-26-22-33-29-41-45(30-34(33)28-37)47(44-27-23-32-12-6-7-15-38(32)46(41)44)42-18-10-8-16-39(42)40-17-9-11-19-43(40)47/h3-30H,2H2,1H3.

What are the key properties of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine?

N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine has a molecular weight of 611.79 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine is sourced from PubChem (CID 137494328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).