2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine

C32H34NO2P — CID 11202757

IUPAC2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
SMILESCc1cc(C)c2op(N([C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C32H34NO2P/c1-21-17-23(3)31-29(19-21)30-20-22(2)18-24(4)32(30)35-36(34-31)33(25(5)27-13-9-7-10-14-27)26(6)28-15-11-8-12-16-28/h7-20,25-26H,1-6H3/t25-,26-/m0/s1
InChIKeyOZWSCSMOAWFHCR-UIOOFZCWSA-N
MW495.60 g/mol
LogP9.98
Rot. Bonds5

About 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine

2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine (PubChem CID 11202757) has the molecular formula C32H34NO2P and a molecular weight of 495.60 g/mol. Its IUPAC name is 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine.

Molecular Properties

Compound Name2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
PubChem CID11202757
Molecular FormulaC32H34NO2P
Molecular Weight495.60 g/mol
Exact Mass495.23
IUPAC Name2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
SMILESCc1cc(C)c2op(N([C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C32H34NO2P/c1-21-17-23(3)31-29(19-21)30-20-22(2)18-24(4)32(30)35-36(34-31)33(25(5)27-13-9-7-10-14-27)26(6)28-15-11-8-12-16-28/h7-20,25-26H,1-6H3/t25-,26-/m0/s1
InChIKeyOZWSCSMOAWFHCR-UIOOFZCWSA-N
XLogP9.98
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine?
The IUPAC name of 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine (CID 11202757) is 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine.
What is the SMILES notation for 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine?
The canonical SMILES for 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine is Cc1cc(C)c2op(N([C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)oc3c(C)cc(C)cc3c2c1.
What is the InChIKey of 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine?
The InChIKey is OZWSCSMOAWFHCR-UIOOFZCWSA-N. The full InChI is InChI=1S/C32H34NO2P/c1-21-17-23(3)31-29(19-21)30-20-22(2)18-24(4)32(30)35-36(34-31)33(25(5)27-13-9-7-10-14-27)26(6)28-15-11-8-12-16-28/h7-20,25-26H,1-6H3/t25-,26-/m0/s1.
What are the key properties of 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine?
2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine has a molecular weight of 495.60 g/mol, XLogP of 9.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetramethyl-N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine is sourced from PubChem (CID 11202757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).