N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine

C20H22NO4P — CID 23418265

IUPACN,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine
SMILESCC1=C(C)OP2(N(C)C)(O1)OC(c1ccccc1)=C(c1ccccc1)O2
InChIInChI=1S/C20H22NO4P/c1-15-16(2)23-26(22-15,21(3)4)24-19(17-11-7-5-8-12-17)20(25-26)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeySMWBRUXCCFNVQR-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.55
Rot. Bonds3

About N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine

N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine (PubChem CID 23418265) has the molecular formula C20H22NO4P and a molecular weight of 371.37 g/mol. Its IUPAC name is N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine.

Molecular Properties

Compound NameN,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine
PubChem CID23418265
Molecular FormulaC20H22NO4P
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine
SMILESCC1=C(C)OP2(N(C)C)(O1)OC(c1ccccc1)=C(c1ccccc1)O2
InChIInChI=1S/C20H22NO4P/c1-15-16(2)23-26(22-15,21(3)4)24-19(17-11-7-5-8-12-17)20(25-26)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeySMWBRUXCCFNVQR-UHFFFAOYSA-N
XLogP5.55
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
CID 23413150
2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]
CID 12668363
N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
CID 134309993
1,1'-biphenyl;N,N-dimethylmethanamine;oxophosphane
CID 174729420
5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
CID 23418141
benzene;1,1'-biphenyl;ethane
CID 158550617
4-methyl-5-phenyl-1,3,2-dioxathiole 2-oxide
CID 139915920
1,1'-biphenyl;toluene
CID 18366440
benzene;tris(1,1'-biphenyl)
CID 162155747
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805

Frequently Asked Questions

What is the IUPAC name of N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine?
The IUPAC name of N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine (CID 23418265) is N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine.
What is the SMILES notation for N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine?
The canonical SMILES for N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine is CC1=C(C)OP2(N(C)C)(O1)OC(c1ccccc1)=C(c1ccccc1)O2.
What is the InChIKey of N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine?
The InChIKey is SMWBRUXCCFNVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NO4P/c1-15-16(2)23-26(22-15,21(3)4)24-19(17-11-7-5-8-12-17)20(25-26)18-13-9-6-10-14-18/h5-14H,1-4H3.
What are the key properties of N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine?
N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine has a molecular weight of 371.37 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine is sourced from PubChem (CID 23418265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).