12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine

C69H44N2OS — CID 162711990

About 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine

12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine (PubChem CID 162711990) has the molecular formula C69H44N2OS and a molecular weight of 949.19 g/mol. Its IUPAC name is 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

Molecular Properties

• Compound Name: 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
• PubChem CID: 162711990
• Molecular Formula: C69H44N2OS
• Molecular Weight: 949.19 g/mol
• Exact Mass: 948.32
• IUPAC Name: 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
• SMILES: c1ccc(N(c2ccc3ccccc3c2)c2cc3c(c4c2sc2ccccc24)-c2c(cc(N(c4ccccc4)c4ccc5ccccc5c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C69H44N2OS/c1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)57-44-60(71(52-31-11-4-12-32-52)54-40-38-46-22-14-16-24-48(46)42-54)68-64(56-34-18-20-36-62(56)73-68)65(57)66-58(69)43-59(63-55-33-17-19-35-61(55)72-67(63)66)70(51-29-9-3-10-30-51)53-39-37-45-21-13-15-23-47(45)41-53/h1-44H
• InChIKey: VTJIJGZJCMLCGP-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 19.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.19
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The IUPAC name of 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine (CID 162711990) is 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

What is the SMILES notation for 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The canonical SMILES for 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine is c1ccc(N(c2ccc3ccccc3c2)c2cc3c(c4c2sc2ccccc24)-c2c(cc(N(c4ccccc4)c4ccc5ccccc5c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The InChIKey is VTJIJGZJCMLCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2OS/c1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)57-44-60(71(52-31-11-4-12-32-52)54-40-38-46-22-14-16-24-48(46)42-54)68-64(56-34-18-20-36-62(56)73-68)65(57)66-58(69)43-59(63-55-33-17-19-35-61(55)72-67(63)66)70(51-29-9-3-10-30-51)53-39-37-45-21-13-15-23-47(45)41-53/h1-44H.

What are the key properties of 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine has a molecular weight of 949.19 g/mol, XLogP of 19.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N,18-N-dinaphthalen-2-yl-12-N,18-N,15,15-tetraphenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine is sourced from PubChem (CID 162711990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).