N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine

C60H37NOS — CID 130464753

About N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine

N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine (PubChem CID 130464753) has the molecular formula C60H37NOS and a molecular weight of 820.03 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
• PubChem CID: 130464753
• Molecular Formula: C60H37NOS
• Molecular Weight: 820.03 g/mol
• Exact Mass: 819.26
• IUPAC Name: N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c5ccccc5c5c(ccc6c7ccccc7sc65)c4c3)c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C60H37NOS/c1-2-15-38(16-3-1)39-29-31-40(32-30-39)61(55-26-14-25-52-48-22-10-12-27-56(48)62-59(52)55)41-33-34-47-45-20-7-5-18-43(45)42-17-4-6-19-44(42)46-21-8-9-24-50(46)58-51(54(47)37-41)35-36-53-49-23-11-13-28-57(49)63-60(53)58/h1-37H/b43-42-,46-44-,47-45-,54-51-,58-50+
• InChIKey: LVDSWQIGJWPNFW-ASKMEVMLSA-N
• XLogP: 17.98
• TPSA: 16.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.03
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine?

The IUPAC name of N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine (CID 130464753) is N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c5ccccc5c5c(ccc6c7ccccc7sc65)c4c3)c3cccc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine?

The InChIKey is LVDSWQIGJWPNFW-ASKMEVMLSA-N. The full InChI is InChI=1S/C60H37NOS/c1-2-15-38(16-3-1)39-29-31-40(32-30-39)61(55-26-14-25-52-48-22-10-12-27-56(48)62-59(52)55)41-33-34-47-45-20-7-5-18-43(45)42-17-4-6-19-44(42)46-21-8-9-24-50(46)58-51(54(47)37-41)35-36-53-49-23-11-13-28-57(49)63-60(53)58/h1-37H/b43-42-,46-44-,47-45-,54-51-,58-50+.

What are the key properties of N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine?

N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine has a molecular weight of 820.03 g/mol, XLogP of 17.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 130464753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).