tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane

C30H30FN2OP — CID 25318527

IUPACtert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane
SMILESCCn1c2ccccc2c2cc([P@](=Nc3ccc(F)cc3)(Oc3ccccc3)C(C)(C)C)ccc21
InChIInChI=1S/C30H30FN2OP/c1-5-33-28-14-10-9-13-26(28)27-21-25(19-20-29(27)33)35(30(2,3)4,34-24-11-7-6-8-12-24)32-23-17-15-22(31)16-18-23/h6-21H,5H2,1-4H3/t35-/m0/s1
InChIKeyGFYGQGSWQXWYIB-DHUJRADRSA-N
MW484.56 g/mol
LogP8.90
Rot. Bonds5

About tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane

tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane (PubChem CID 25318527) has the molecular formula C30H30FN2OP and a molecular weight of 484.56 g/mol. Its IUPAC name is tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane
PubChem CID25318527
Molecular FormulaC30H30FN2OP
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Nametert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane
SMILESCCn1c2ccccc2c2cc([P@](=Nc3ccc(F)cc3)(Oc3ccccc3)C(C)(C)C)ccc21
InChIInChI=1S/C30H30FN2OP/c1-5-33-28-14-10-9-13-26(28)27-21-25(19-20-29(27)33)35(30(2,3)4,34-24-11-7-6-8-12-24)32-23-17-15-22(31)16-18-23/h6-21H,5H2,1-4H3/t35-/m0/s1
InChIKeyGFYGQGSWQXWYIB-DHUJRADRSA-N
XLogP8.90
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane?
The IUPAC name of tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane (CID 25318527) is tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane.
What is the SMILES notation for tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane?
The canonical SMILES for tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane is CCn1c2ccccc2c2cc([P@](=Nc3ccc(F)cc3)(Oc3ccccc3)C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane?
The InChIKey is GFYGQGSWQXWYIB-DHUJRADRSA-N. The full InChI is InChI=1S/C30H30FN2OP/c1-5-33-28-14-10-9-13-26(28)27-21-25(19-20-29(27)33)35(30(2,3)4,34-24-11-7-6-8-12-24)32-23-17-15-22(31)16-18-23/h6-21H,5H2,1-4H3/t35-/m0/s1.
What are the key properties of tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane?
tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane has a molecular weight of 484.56 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-phenoxy-λ5-phosphane is sourced from PubChem (CID 25318527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).