13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C62H48O4P2 — CID 20758581

About 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 20758581) has the molecular formula C62H48O4P2 and a molecular weight of 919.01 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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• PubChem CID: 20758581
• Molecular Formula: C62H48O4P2
• Molecular Weight: 919.01 g/mol
• Exact Mass: 918.30
• IUPAC Name: 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• SMILES: Cc1cc2c(c(-c3c4c(cc(C)c3-p3oc5ccc6ccccc6c5c5c(ccc6ccccc65)o3)CCCC4)c1-p1oc3ccc4ccccc4c3c3c(ccc4ccccc43)o1)CCCC2
• InChI: InChI=1S/C62H48O4P2/c1-37-35-43-19-7-13-25-49(43)59(61(37)67-63-51-31-27-39-15-3-9-21-45(39)55(51)56-46-22-10-4-16-40(46)28-32-52(56)64-67)60-50-26-14-8-20-44(50)36-38(2)62(60)68-65-53-33-29-41-17-5-11-23-47(41)57(53)58-48-24-12-6-18-42(48)30-34-54(58)66-68/h3-6,9-12,15-18,21-24,27-36H,7-8,13-14,19-20,25-26H2,1-2H3
• InChIKey: SJRPGLKEYAMUGK-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.01
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 20758581) is 13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is Cc1cc2c(c(-c3c4c(cc(C)c3-p3oc5ccc6ccccc6c5c5c(ccc6ccccc65)o3)CCCC4)c1-p1oc3ccc4ccccc4c3c3c(ccc4ccccc43)o1)CCCC2.

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

The InChIKey is SJRPGLKEYAMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48O4P2/c1-37-35-43-19-7-13-25-49(43)59(61(37)67-63-51-31-27-39-15-3-9-21-45(39)55(51)56-46-22-10-4-16-40(46)28-32-52(56)64-67)60-50-26-14-8-20-44(50)36-38(2)62(60)68-65-53-33-29-41-17-5-11-23-47(41)57(53)58-48-24-12-6-18-42(48)30-34-54(58)66-68/h3-6,9-12,15-18,21-24,27-36H,7-8,13-14,19-20,25-26H2,1-2H3.

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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?

13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 919.01 g/mol, XLogP of 19.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 20758581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).