CID 11296696

C32H28F2NP2 — CID 11296696

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C32H28F2NP2/c1-24(35(2)37(29-18-9-12-25(33)22-29)30-19-10-13-26(34)23-30)31-20-11-21-32(31)36(27-14-5-3-6-15-27)28-16-7-4-8-17-28/h3-24H,1-2H3/t24-/m1/s1
InChIKeyNEXCDKWWKGQXPD-XMMPIXPASA-N
MW526.53 g/mol
LogP6.50
Rot. Bonds8

About CID 11296696

CID 11296696 (PubChem CID 11296696) has the molecular formula C32H28F2NP2 and a molecular weight of 526.53 g/mol.

Molecular Properties

Compound NameCID 11296696
PubChem CID11296696
Molecular FormulaC32H28F2NP2
Molecular Weight526.53 g/mol
Exact Mass526.17
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C32H28F2NP2/c1-24(35(2)37(29-18-9-12-25(33)22-29)30-19-10-13-26(34)23-30)31-20-11-21-32(31)36(27-14-5-3-6-15-27)28-16-7-4-8-17-28/h3-24H,1-2H3/t24-/m1/s1
InChIKeyNEXCDKWWKGQXPD-XMMPIXPASA-N
XLogP6.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.53
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 11506321
CID 11506321
CID 11434160
CID 11434160
1,1'-Bis{(R)-{(RP)-2-[(S)-1-(dimethylamino)ethyl]ferrocenyl}phenylphosphino}ferrocene
CID 146160115
CID 11528005
CID 11528005
CID 11285543
CID 11285543
CID 11752614
CID 11752614
ethane;triphenylphosphane
CID 90942156
(2S)-1-[(1S)-1-(DICYCLOHEXYLPHOSPHINO)ETHYL]-2-(DIPHENYLPHOSPHINO)FERROCENE
CID 166639520
CID 25180409
CID 25180409
CID 46919524
CID 46919524
ethyl-(3-fluorophenyl)-diphenylphosphanium
CID 174725265
bis(3-fluorophenyl)-phenoxyphosphane
CID 141190164

Frequently Asked Questions

What is the IUPAC name of CID 11296696?
The IUPAC name of CID 11296696 (CID 11296696) is not available.
What is the SMILES notation for CID 11296696?
The canonical SMILES for CID 11296696 is C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of CID 11296696?
The InChIKey is NEXCDKWWKGQXPD-XMMPIXPASA-N. The full InChI is InChI=1S/C32H28F2NP2/c1-24(35(2)37(29-18-9-12-25(33)22-29)30-19-10-13-26(34)23-30)31-20-11-21-32(31)36(27-14-5-3-6-15-27)28-16-7-4-8-17-28/h3-24H,1-2H3/t24-/m1/s1.
What are the key properties of CID 11296696?
CID 11296696 has a molecular weight of 526.53 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11296696 is sourced from PubChem (CID 11296696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).