1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine

C132H198N4O8P4 — CID 158423883

About 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine

1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine (PubChem CID 158423883) has the molecular formula C132H198N4O8P4 and a molecular weight of 2092.95 g/mol. Its IUPAC name is 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine.

Molecular Properties

• Compound Name: 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine
• PubChem CID: 158423883
• Molecular Formula: C132H198N4O8P4
• Molecular Weight: 2092.95 g/mol
• Exact Mass: 2091.42
• IUPAC Name: 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c2op(N3CCCCC3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.CCCN(C)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CCN(CC)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CN(c1ccccc1)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1
• InChI: InChI=1S/C35H48NO2P.C33H50NO2P.2C32H50NO2P/c1-32(2,3)23-19-26-27-20-24(33(4,5)6)22-29(35(10,11)12)31(27)38-39(36(13)25-17-15-14-16-18-25)37-30(26)28(21-23)34(7,8)9;1-30(2,3)22-18-24-25-19-23(31(4,5)6)21-27(33(10,11)12)29(25)36-37(34-16-14-13-15-17-34)35-28(24)26(20-22)32(7,8)9;1-15-16-33(14)36-34-27-23(17-21(29(2,3)4)19-25(27)31(8,9)10)24-18-22(30(5,6)7)20-26(28(24)35-36)32(11,12)13;1-15-33(16-2)36-34-27-23(17-21(29(3,4)5)19-25(27)31(9,10)11)24-18-22(30(6,7)8)20-26(28(24)35-36)32(12,13)14/h14-22H,1-13H3;18-21H,13-17H2,1-12H3;2*17-20H,15-16H2,1-14H3
• InChIKey: HAUVGUNMBOIQGO-UHFFFAOYSA-N
• XLogP: 42.90
• TPSA: 118.08 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.95
LogP ≤ 5	42.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?

The IUPAC name of 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine (CID 158423883) is 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine.

What is the SMILES notation for 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?

The canonical SMILES for 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine is CC(C)(C)c1cc(C(C)(C)C)c2op(N3CCCCC3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.CCCN(C)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CCN(CC)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CN(c1ccccc1)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.

What is the InChIKey of 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?

The InChIKey is HAUVGUNMBOIQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48NO2P.C33H50NO2P.2C32H50NO2P/c1-32(2,3)23-19-26-27-20-24(33(4,5)6)22-29(35(10,11)12)31(27)38-39(36(13)25-17-15-14-16-18-25)37-30(26)28(21-23)34(7,8)9;1-30(2,3)22-18-24-25-19-23(31(4,5)6)21-27(33(10,11)12)29(25)36-37(34-16-14-13-15-17-34)35-28(24)26(20-22)32(7,8)9;1-15-16-33(14)36-34-27-23(17-21(29(2,3)4)19-25(27)31(8,9)10)24-18-22(30(5,6)7)20-26(28(24)35-36)32(11,12)13;1-15-33(16-2)36-34-27-23(17-21(29(3,4)5)19-25(27)31(9,10)11)24-18-22(30(6,7)8)20-26(28(24)35-36)32(12,13)14/h14-22H,1-13H3;18-21H,13-17H2,1-12H3;2*17-20H,15-16H2,1-14H3.

What are the key properties of 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?

1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine has a molecular weight of 2092.95 g/mol, XLogP of 42.90, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)piperidine;2,4,8,10-tetratert-butyl-N,N-diethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine;2,4,8,10-tetratert-butyl-N-methyl-N-propylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine is sourced from PubChem (CID 158423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).