(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane

C22H28N3O2PS — CID 3581699

IUPAC(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
SMILESCCn1c2ccccc2c2cc(P(=S)(N3CCOCC3)N3CCOCC3)ccc21
InChIInChI=1S/C22H28N3O2PS/c1-2-25-21-6-4-3-5-19(21)20-17-18(7-8-22(20)25)28(29,23-9-13-26-14-10-23)24-11-15-27-16-12-24/h3-8,17H,2,9-16H2,1H3
InChIKeyMSPAFLSHTMHFQG-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.41
Rot. Bonds4

About (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane

(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane (PubChem CID 3581699) has the molecular formula C22H28N3O2PS and a molecular weight of 429.53 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
PubChem CID3581699
Molecular FormulaC22H28N3O2PS
Molecular Weight429.53 g/mol
Exact Mass429.16
IUPAC Name(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
SMILESCCn1c2ccccc2c2cc(P(=S)(N3CCOCC3)N3CCOCC3)ccc21
InChIInChI=1S/C22H28N3O2PS/c1-2-25-21-6-4-3-5-19(21)20-17-18(7-8-22(20)25)28(29,23-9-13-26-14-10-23)24-11-15-27-16-12-24/h3-8,17H,2,9-16H2,1H3
InChIKeyMSPAFLSHTMHFQG-UHFFFAOYSA-N
XLogP3.41
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine
CID 171250725
4-[(3-bromocarbazol-9-yl)methyl]morpholine
CID 23934226
tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane
CID 4291161
tert-butyl-(9-ethylcarbazol-3-yl)-(4-methylphenyl)imino-pyrrolidin-1-yl-λ5-phosphane
CID 40929857
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
9-ethylcarbazole-3-carboxylic acid
CID 4912869
N-[(9-ethylcarbazol-3-yl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 42701340
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
(3S)-3-(9-ethylcarbazol-3-yl)morpholine
CID 171193383
9-ethylcarbazole-3-carboxylate
CID 7148416
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane (CID 3581699) is (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane is CCn1c2ccccc2c2cc(P(=S)(N3CCOCC3)N3CCOCC3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane?
The InChIKey is MSPAFLSHTMHFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N3O2PS/c1-2-25-21-6-4-3-5-19(21)20-17-18(7-8-22(20)25)28(29,23-9-13-26-14-10-23)24-11-15-27-16-12-24/h3-8,17H,2,9-16H2,1H3.
What are the key properties of (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane?
(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane has a molecular weight of 429.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3581699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).