CID 57379175

C32H30B2P2 — CID 57379175

IUPAC—
SMILES[B].[B].c1ccc(P(C[C@@H]2C[C@]23C[C@@]32C[C@H]2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30P2.2B/c1-5-13-26(14-6-1)33(27-15-7-2-8-16-27)23-25-21-31(25)24-32(31)22-30(32)34(28-17-9-3-10-18-28)29-19-11-4-12-20-29;;/h1-20,25,30H,21-24H2;;/t25-,30+,31-,32+;;/m0../s1
InChIKeyQRGMMXDERDSHDY-AIUBPGBASA-N
MW498.16 g/mol
LogP5.66
Rot. Bonds7

About CID 57379175

CID 57379175 (PubChem CID 57379175) has the molecular formula C32H30B2P2 and a molecular weight of 498.16 g/mol.

Molecular Properties

Compound NameCID 57379175
PubChem CID57379175
Molecular FormulaC32H30B2P2
Molecular Weight498.16 g/mol
Exact Mass498.20
IUPAC Name—
SMILES[B].[B].c1ccc(P(C[C@@H]2C[C@]23C[C@@]32C[C@H]2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30P2.2B/c1-5-13-26(14-6-1)33(27-15-7-2-8-16-27)23-25-21-31(25)24-32(31)22-30(32)34(28-17-9-3-10-18-28)29-19-11-4-12-20-29;;/h1-20,25,30H,21-24H2;;/t25-,30+,31-,32+;;/m0../s1
InChIKeyQRGMMXDERDSHDY-AIUBPGBASA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.16
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 57379173
CID 57379173
[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane
CID 57379174
[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane
CID 57379171
[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane
CID 91153135
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 13296398
diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane
CID 134865357
[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium
CID 163666585
[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
CID 170897994
(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one
CID 102002966
ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 88907993
1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
CID 15321970
[3-(diphenylphosphanylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl-diphenylphosphane
CID 57017880

Frequently Asked Questions

What is the IUPAC name of CID 57379175?
The IUPAC name of CID 57379175 (CID 57379175) is not available.
What is the SMILES notation for CID 57379175?
The canonical SMILES for CID 57379175 is [B].[B].c1ccc(P(C[C@@H]2C[C@]23C[C@@]32C[C@H]2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 57379175?
The InChIKey is QRGMMXDERDSHDY-AIUBPGBASA-N. The full InChI is InChI=1S/C32H30P2.2B/c1-5-13-26(14-6-1)33(27-15-7-2-8-16-27)23-25-21-31(25)24-32(31)22-30(32)34(28-17-9-3-10-18-28)29-19-11-4-12-20-29;;/h1-20,25,30H,21-24H2;;/t25-,30+,31-,32+;;/m0../s1.
What are the key properties of CID 57379175?
CID 57379175 has a molecular weight of 498.16 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57379175 is sourced from PubChem (CID 57379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).