19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane

C62H44N2S — CID 145326883

About 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane

19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane (PubChem CID 145326883) has the molecular formula C62H44N2S and a molecular weight of 849.12 g/mol. Its IUPAC name is 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane.

Molecular Properties

• Compound Name: 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane
• PubChem CID: 145326883
• Molecular Formula: C62H44N2S
• Molecular Weight: 849.12 g/mol
• Exact Mass: 848.32
• IUPAC Name: 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane
• SMILES: CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7c8c9ccccc9n9c8c(cc76)Sc6ccccc6-9)c5)c4)c3)c2)cc1
• InChI: InChI=1S/C60H38N2S.C2H6/c1-3-16-39(17-4-1)46-34-47(40-18-5-2-6-19-40)36-48(35-46)44-23-14-21-42(33-44)41-20-13-22-43(32-41)45-24-15-25-49(37-45)61-52-28-9-7-26-50(52)58-55(61)38-57-60-59(58)51-27-8-10-29-53(51)62(60)54-30-11-12-31-56(54)63-57;1-2/h1-38H;1-2H3
• InChIKey: DSFZEFOTGVUVNC-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.12
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane?

The IUPAC name of 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane (CID 145326883) is 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane.

What is the SMILES notation for 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane?

The canonical SMILES for 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane is CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7c8c9ccccc9n9c8c(cc76)Sc6ccccc6-9)c5)c4)c3)c2)cc1.

What is the InChIKey of 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane?

The InChIKey is DSFZEFOTGVUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2S.C2H6/c1-3-16-39(17-4-1)46-34-47(40-18-5-2-6-19-40)36-48(35-46)44-23-14-21-42(33-44)41-20-13-22-43(32-41)45-24-15-25-49(37-45)61-52-28-9-7-26-50(52)58-55(61)38-57-60-59(58)51-27-8-10-29-53(51)62(60)54-30-11-12-31-56(54)63-57;1-2/h1-38H;1-2H3.

What are the key properties of 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane?

19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane has a molecular weight of 849.12 g/mol, XLogP of 17.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane is sourced from PubChem (CID 145326883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).