1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine

C27H27NP2 — CID 18692483

IUPAC1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine
SMILESNC(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NP2/c28-25(26(29,21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,28-30H2
InChIKeyLSZNHMABXYGOTR-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.95
Rot. Bonds6

About 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine

1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine (PubChem CID 18692483) has the molecular formula C27H27NP2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine.

Molecular Properties

Compound Name1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine
PubChem CID18692483
Molecular FormulaC27H27NP2
Molecular Weight427.47 g/mol
Exact Mass427.16
IUPAC Name1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine
SMILESNC(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NP2/c28-25(26(29,21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,28-30H2
InChIKeyLSZNHMABXYGOTR-UHFFFAOYSA-N
XLogP5.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine?
The IUPAC name of 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine (CID 18692483) is 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine.
What is the SMILES notation for 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine?
The canonical SMILES for 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine is NC(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine?
The InChIKey is LSZNHMABXYGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NP2/c28-25(26(29,21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,28-30H2.
What are the key properties of 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine?
1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine has a molecular weight of 427.47 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine is sourced from PubChem (CID 18692483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).