13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene

C60H52O6P2 — CID 11193894

About 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene

13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene (PubChem CID 11193894) has the molecular formula C60H52O6P2 and a molecular weight of 931.02 g/mol. Its IUPAC name is 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene.

Molecular Properties

• Compound Name: 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene
• PubChem CID: 11193894
• Molecular Formula: C60H52O6P2
• Molecular Weight: 931.02 g/mol
• Exact Mass: 930.32
• IUPAC Name: 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene
• SMILES: c1ccc2c(-c3c(Op4oc5ccc6c(c5c5c7c(ccc5o4)CCCC7)CCCC6)ccc4ccccc34)c(Op3oc4ccc5c(c4c4c6c(ccc4o3)CCCC6)CCCC5)ccc2c1
• InChI: InChI=1S/C60H52O6P2/c1-7-19-43-37(13-1)25-31-49-55(43)56-44-20-8-2-14-38(44)26-32-50(56)62-67(61-49)65-53-35-29-41-17-5-11-23-47(41)59(53)60-48-24-12-6-18-42(48)30-36-54(60)66-68-63-51-33-27-39-15-3-9-21-45(39)57(51)58-46-22-10-4-16-40(46)28-34-52(58)64-68/h5-6,11-12,17-18,23-36H,1-4,7-10,13-16,19-22H2
• InChIKey: FVSSWOFQNWNXCG-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 71.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.02
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene?

The IUPAC name of 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene (CID 11193894) is 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene.

What is the SMILES notation for 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene?

The canonical SMILES for 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene is c1ccc2c(-c3c(Op4oc5ccc6c(c5c5c7c(ccc5o4)CCCC7)CCCC6)ccc4ccccc34)c(Op3oc4ccc5c(c4c4c6c(ccc4o3)CCCC6)CCCC5)ccc2c1.

What is the InChIKey of 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene?

The InChIKey is FVSSWOFQNWNXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52O6P2/c1-7-19-43-37(13-1)25-31-49-55(43)56-44-20-8-2-14-38(44)26-32-50(56)62-67(61-49)65-53-35-29-41-17-5-11-23-47(41)59(53)60-48-24-12-6-18-42(48)30-36-54(60)66-68-63-51-33-27-39-15-3-9-21-45(39)57(51)58-46-22-10-4-16-40(46)28-34-52(58)64-68/h5-6,11-12,17-18,23-36H,1-4,7-10,13-16,19-22H2.

What are the key properties of 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene?

13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene has a molecular weight of 931.02 g/mol, XLogP of 18.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene is sourced from PubChem (CID 11193894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).