11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine

C25H27O2P — CID 19706021

IUPAC11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
SMILESCC(C)c1cccc2c1OP(c1ccccc1)Oc1c(cccc1C(C)C)C2
InChIInChI=1S/C25H27O2P/c1-17(2)22-14-8-10-19-16-20-11-9-15-23(18(3)4)25(20)27-28(26-24(19)22)21-12-6-5-7-13-21/h5-15,17-18H,16H2,1-4H3
InChIKeyXSGRTWZDNGAJKI-UHFFFAOYSA-N
MW390.46 g/mol
LogP6.93
Rot. Bonds3

About 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine

11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine (PubChem CID 19706021) has the molecular formula C25H27O2P and a molecular weight of 390.46 g/mol. Its IUPAC name is 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine.

Molecular Properties

Compound Name11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
PubChem CID19706021
Molecular FormulaC25H27O2P
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
SMILESCC(C)c1cccc2c1OP(c1ccccc1)Oc1c(cccc1C(C)C)C2
InChIInChI=1S/C25H27O2P/c1-17(2)22-14-8-10-19-16-20-11-9-15-23(18(3)4)25(20)27-28(26-24(19)22)21-12-6-5-7-13-21/h5-15,17-18H,16H2,1-4H3
InChIKeyXSGRTWZDNGAJKI-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-[1-[2-[(1,9-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine;11-[1-[2-[[4,6-dimethyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,6-dimethyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,4,6,9-tetramethyl-11-[1-[2-[(1,4,6,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,4,6,9-tetramethyl-11-[2-[2-[(1,4,6,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]phenoxy]-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 158256800
3,7-dimethyl-11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 22967870
11-[(1,9-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)methyl]-1,9-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 23561224
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
1-propan-2-yl-9H-thioxanthene
CID 23368911
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
2-methyl-3-phenyl-8-propan-2-yl-2H-1,3-benzoxazin-3-ium
CID 158529197
3,3-dimethyl-4-propan-2-yl-1H-2-benzofuran
CID 59734404

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The IUPAC name of 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine (CID 19706021) is 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine.
What is the SMILES notation for 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The canonical SMILES for 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine is CC(C)c1cccc2c1OP(c1ccccc1)Oc1c(cccc1C(C)C)C2.
What is the InChIKey of 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The InChIKey is XSGRTWZDNGAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O2P/c1-17(2)22-14-8-10-19-16-20-11-9-15-23(18(3)4)25(20)27-28(26-24(19)22)21-12-6-5-7-13-21/h5-15,17-18H,16H2,1-4H3.
What are the key properties of 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine has a molecular weight of 390.46 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine is sourced from PubChem (CID 19706021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).