1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene

C36H45NP2 — CID 87735371

IUPAC1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1P(NP(c1ccccc1C(C)C)c1ccccc1C(C)C)c1ccccc1C(C)C
InChIInChI=1S/C36H45NP2/c1-25(2)29-17-9-13-21-33(29)38(34-22-14-10-18-30(34)26(3)4)37-39(35-23-15-11-19-31(35)27(5)6)36-24-16-12-20-32(36)28(7)8/h9-28,37H,1-8H3
InChIKeyDZSGMRBLHVELSF-UHFFFAOYSA-N
MW553.71 g/mol
LogP9.17
Rot. Bonds10

About 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene

1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene (PubChem CID 87735371) has the molecular formula C36H45NP2 and a molecular weight of 553.71 g/mol. Its IUPAC name is 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene
PubChem CID87735371
Molecular FormulaC36H45NP2
Molecular Weight553.71 g/mol
Exact Mass553.30
IUPAC Name1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1P(NP(c1ccccc1C(C)C)c1ccccc1C(C)C)c1ccccc1C(C)C
InChIInChI=1S/C36H45NP2/c1-25(2)29-17-9-13-21-33(29)38(34-22-14-10-18-30(34)26(3)4)37-39(35-23-15-11-19-31(35)27(5)6)36-24-16-12-20-32(36)28(7)8/h9-28,37H,1-8H3
InChIKeyDZSGMRBLHVELSF-UHFFFAOYSA-N
XLogP9.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.17
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-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene?
The IUPAC name of 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene (CID 87735371) is 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene is CC(C)c1ccccc1P(NP(c1ccccc1C(C)C)c1ccccc1C(C)C)c1ccccc1C(C)C.
What is the InChIKey of 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene?
The InChIKey is DZSGMRBLHVELSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45NP2/c1-25(2)29-17-9-13-21-33(29)38(34-22-14-10-18-30(34)26(3)4)37-39(35-23-15-11-19-31(35)27(5)6)36-24-16-12-20-32(36)28(7)8/h9-28,37H,1-8H3.
What are the key properties of 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene?
1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene has a molecular weight of 553.71 g/mol, XLogP of 9.17, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 87735371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).