(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane

C39H56IP — CID 140527861

IUPAC(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane
SMILESIPCCCCCCCCCCCCCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C39H56IP/c40-41-32-24-13-11-9-7-5-3-1-2-4-6-8-10-12-23-31-39(33-36-25-17-14-18-26-36,34-37-27-19-15-20-28-37)35-38-29-21-16-22-30-38/h14-22,25-30,41H,1-13,23-24,31-35H2
InChIKeyBTGJWEVAUPYYSY-UHFFFAOYSA-N
MW682.75 g/mol
LogP12.97
Rot. Bonds24

About (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane

(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane (PubChem CID 140527861) has the molecular formula C39H56IP and a molecular weight of 682.75 g/mol. Its IUPAC name is (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane.

Molecular Properties

Compound Name(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane
PubChem CID140527861
Molecular FormulaC39H56IP
Molecular Weight682.75 g/mol
Exact Mass682.32
IUPAC Name(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane
SMILESIPCCCCCCCCCCCCCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C39H56IP/c40-41-32-24-13-11-9-7-5-3-1-2-4-6-8-10-12-23-31-39(33-36-25-17-14-18-26-36,34-37-27-19-15-20-28-37)35-38-29-21-16-22-30-38/h14-22,25-30,41H,1-13,23-24,31-35H2
InChIKeyBTGJWEVAUPYYSY-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.75
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane?
The IUPAC name of (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane (CID 140527861) is (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane.
What is the SMILES notation for (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane?
The canonical SMILES for (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane is IPCCCCCCCCCCCCCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane?
The InChIKey is BTGJWEVAUPYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56IP/c40-41-32-24-13-11-9-7-5-3-1-2-4-6-8-10-12-23-31-39(33-36-25-17-14-18-26-36,34-37-27-19-15-20-28-37)35-38-29-21-16-22-30-38/h14-22,25-30,41H,1-13,23-24,31-35H2.
What are the key properties of (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane?
(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane has a molecular weight of 682.75 g/mol, XLogP of 12.97, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane is sourced from PubChem (CID 140527861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).