[13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane

C72H76O6P2Si4 — CID 102085821

About [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane

[13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane (PubChem CID 102085821) has the molecular formula C72H76O6P2Si4 and a molecular weight of 1211.69 g/mol. Its IUPAC name is [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane
• PubChem CID: 102085821
• Molecular Formula: C72H76O6P2Si4
• Molecular Weight: 1211.69 g/mol
• Exact Mass: 1210.42
• IUPAC Name: [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane
• SMILES: C[Si](C)(C)c1cc2ccccc2c2c1op(Oc1ccc3c(c1-c1c(Op4oc5c([Si](C)(C)C)cc6ccccc6c5c5c(o4)c([Si](C)(C)C)cc4ccccc45)ccc4c1CCCC4)CCCC3)oc1c([Si](C)(C)C)cc3ccccc3c12
• InChI: InChI=1S/C72H76O6P2Si4/c1-81(2,3)59-41-47-27-15-21-33-53(47)65-66-54-34-22-16-28-48(54)42-60(82(4,5)6)70(66)76-79(75-69(59)65)73-57-39-37-45-25-13-19-31-51(45)63(57)64-52-32-20-14-26-46(52)38-40-58(64)74-80-77-71-61(83(7,8)9)43-49-29-17-23-35-55(49)67(71)68-56-36-24-18-30-50(56)44-62(72(68)78-80)84(10,11)12/h15-18,21-24,27-30,33-44H,13-14,19-20,25-26,31-32H2,1-12H3
• InChIKey: KUEHKTZOKIZIHK-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 71.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.69
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane?

The IUPAC name of [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane (CID 102085821) is [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane.

What is the SMILES notation for [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane?

The canonical SMILES for [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane is C[Si](C)(C)c1cc2ccccc2c2c1op(Oc1ccc3c(c1-c1c(Op4oc5c([Si](C)(C)C)cc6ccccc6c5c5c(o4)c([Si](C)(C)C)cc4ccccc45)ccc4c1CCCC4)CCCC3)oc1c([Si](C)(C)C)cc3ccccc3c12.

What is the InChIKey of [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane?

The InChIKey is KUEHKTZOKIZIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H76O6P2Si4/c1-81(2,3)59-41-47-27-15-21-33-53(47)65-66-54-34-22-16-28-48(54)42-60(82(4,5)6)70(66)76-79(75-69(59)65)73-57-39-37-45-25-13-19-31-51(45)63(57)64-52-32-20-14-26-46(52)38-40-58(64)74-80-77-71-61(83(7,8)9)43-49-29-17-23-35-55(49)67(71)68-56-36-24-18-30-50(56)44-62(72(68)78-80)84(10,11)12/h15-18,21-24,27-30,33-44H,13-14,19-20,25-26,31-32H2,1-12H3.

What are the key properties of [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane?

[13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane has a molecular weight of 1211.69 g/mol, XLogP of 20.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[[1-[2-[[10,16-bis(trimethylsilyl)-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]oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-16-trimethylsilyl-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-10-yl]-trimethylsilane is sourced from PubChem (CID 102085821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).