10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine

C41H52NO2PSi2 — CID 163464710

About 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine

10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine (PubChem CID 163464710) has the molecular formula C41H52NO2PSi2 and a molecular weight of 678.02 g/mol. Its IUPAC name is 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine.

Molecular Properties

• Compound Name: 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine
• PubChem CID: 163464710
• Molecular Formula: C41H52NO2PSi2
• Molecular Weight: 678.02 g/mol
• Exact Mass: 677.33
• IUPAC Name: 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine
• SMILES: CC[Si](C)(CC)c1cc2ccccc2c2c1op(N(C(C)C)[C@H](C)c1ccccc1)oc1c([Si](C)(CC)CC)cc3ccccc3c12
• InChI: InChI=1S/C41H52NO2PSi2/c1-10-46(8,11-2)36-27-32-23-17-19-25-34(32)38-39-35-26-20-18-24-33(35)28-37(47(9,12-3)13-4)41(39)44-45(43-40(36)38)42(29(5)6)30(7)31-21-15-14-16-22-31/h14-30H,10-13H2,1-9H3/t30-/m1/s1
• InChIKey: KZOYVLANDWGGCV-SSEXGKCCSA-N
• XLogP: 12.35
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.02
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine?

The IUPAC name of 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine (CID 163464710) is 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine.

What is the SMILES notation for 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine?

The canonical SMILES for 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine is CC[Si](C)(CC)c1cc2ccccc2c2c1op(N(C(C)C)[C@H](C)c1ccccc1)oc1c([Si](C)(CC)CC)cc3ccccc3c12.

What is the InChIKey of 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine?

The InChIKey is KZOYVLANDWGGCV-SSEXGKCCSA-N. The full InChI is InChI=1S/C41H52NO2PSi2/c1-10-46(8,11-2)36-27-32-23-17-19-25-34(32)38-39-35-26-20-18-24-33(35)28-37(47(9,12-3)13-4)41(39)44-45(43-40(36)38)42(29(5)6)30(7)31-21-15-14-16-22-31/h14-30H,10-13H2,1-9H3/t30-/m1/s1.

What are the key properties of 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine?

10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine has a molecular weight of 678.02 g/mol, XLogP of 12.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16-bis[diethyl(methyl)silyl]-N-[(1R)-1-phenylethyl]-N-propan-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-decaen-13-amine is sourced from PubChem (CID 163464710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).