2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol

C62H40N2O2Se2 — CID 159682402

About 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol

2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol (PubChem CID 159682402) has the molecular formula C62H40N2O2Se2 and a molecular weight of 1002.93 g/mol. Its IUPAC name is 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol.

Molecular Properties

• Compound Name: 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol
• PubChem CID: 159682402
• Molecular Formula: C62H40N2O2Se2
• Molecular Weight: 1002.93 g/mol
• Exact Mass: 1004.14
• IUPAC Name: 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol
• SMILES: [SeH]c1ccccc1-c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)c([SeH])c6)ccc5cc4c32)cc1
• InChI: InChI=1S/C62H40N2O2Se2/c67-59-19-11-10-18-51(59)40-20-24-47(25-21-40)63(45-14-6-2-7-15-45)48-26-22-41-34-54-53-30-31-56-61(62(53)66-57(54)36-43(41)32-48)55-35-42-23-27-49(33-44(42)37-58(55)65-56)64(46-16-8-3-9-17-46)50-28-29-52(60(68)38-50)39-12-4-1-5-13-39/h1-38,67-68H
• InChIKey: CZNJFMQJKQUTNJ-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.93
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol?

The IUPAC name of 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol (CID 159682402) is 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol.

What is the SMILES notation for 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol?

The canonical SMILES for 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol is [SeH]c1ccccc1-c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)c([SeH])c6)ccc5cc4c32)cc1.

What is the InChIKey of 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol?

The InChIKey is CZNJFMQJKQUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O2Se2/c67-59-19-11-10-18-51(59)40-20-24-47(25-21-40)63(45-14-6-2-7-15-45)48-26-22-41-34-54-53-30-31-56-61(62(53)66-57(54)36-43(41)32-48)55-35-42-23-27-49(33-44(42)37-58(55)65-56)64(46-16-8-3-9-17-46)50-28-29-52(60(68)38-50)39-12-4-1-5-13-39/h1-38,67-68H.

What are the key properties of 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol?

2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol has a molecular weight of 1002.93 g/mol, XLogP of 15.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-(N-[23-(N-[4-(2-selanylphenyl)phenyl]anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-8-yl]anilino)benzeneselenol is sourced from PubChem (CID 159682402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).