tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane

C29H36N3P — CID 4291161

IUPACtert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane
SMILESCCn1c2ccccc2c2cc(P(=Nc3ccc(C)cc3)(N3CCCC3)C(C)(C)C)ccc21
InChIInChI=1S/C29H36N3P/c1-6-32-27-12-8-7-11-25(27)26-21-24(17-18-28(26)32)33(29(3,4)5,31-19-9-10-20-31)30-23-15-13-22(2)14-16-23/h7-8,11-18,21H,6,9-10,19-20H2,1-5H3
InChIKeyUFRONSXNRXRQQO-UHFFFAOYSA-N
MW457.60 g/mol
LogP8.09
Rot. Bonds4

About tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane

tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane (PubChem CID 4291161) has the molecular formula C29H36N3P and a molecular weight of 457.60 g/mol. Its IUPAC name is tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane
PubChem CID4291161
Molecular FormulaC29H36N3P
Molecular Weight457.60 g/mol
Exact Mass457.26
IUPAC Nametert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane
SMILESCCn1c2ccccc2c2cc(P(=Nc3ccc(C)cc3)(N3CCCC3)C(C)(C)C)ccc21
InChIInChI=1S/C29H36N3P/c1-6-32-27-12-8-7-11-25(27)26-21-24(17-18-28(26)32)33(29(3,4)5,31-19-9-10-20-31)30-23-15-13-22(2)14-16-23/h7-8,11-18,21H,6,9-10,19-20H2,1-5H3
InChIKeyUFRONSXNRXRQQO-UHFFFAOYSA-N
XLogP8.09
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
The IUPAC name of tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane (CID 4291161) is tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane.
What is the SMILES notation for tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
The canonical SMILES for tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane is CCn1c2ccccc2c2cc(P(=Nc3ccc(C)cc3)(N3CCCC3)C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
The InChIKey is UFRONSXNRXRQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N3P/c1-6-32-27-12-8-7-11-25(27)26-21-24(17-18-28(26)32)33(29(3,4)5,31-19-9-10-20-31)30-23-15-13-22(2)14-16-23/h7-8,11-18,21H,6,9-10,19-20H2,1-5H3.
What are the key properties of tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane has a molecular weight of 457.60 g/mol, XLogP of 8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane is sourced from PubChem (CID 4291161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).