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

C29H36N3P — CID 40929857

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/t33-/m1/s1
InChIKeyUFRONSXNRXRQQO-MGBGTMOVSA-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 40929857) 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 CID40929857
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/t33-/m1/s1
InChIKeyUFRONSXNRXRQQO-MGBGTMOVSA-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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Related Compounds

tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane
CID 4291161
tert-butyl-(3,4-dimethylphenyl)imino-(9-ethylcarbazol-3-yl)-pyrrolidin-1-yl-λ5-phosphane
CID 25334056
tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-piperidin-1-yl-λ5-phosphane
CID 3451696
tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane
CID 5187692
(4-bromophenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-lambda5-phosphane
CID 3402215
9-ethyl-2-methylcarbazole
CID 19788789
(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
CID 3581699
N-(9-ethylcarbazol-3-yl)-1-(3-methylphenyl)methanimine
CID 12752584
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
(4-bromophenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)-naphthalen-1-ylimino-λ5-phosphane
CID 97354493
(Z)-1-(9-ethylcarbazol-3-yl)-N-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
CID 172983137
N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine
CID 25318646

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 40929857) 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-MGBGTMOVSA-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/t33-/m1/s1.
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 40929857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).