tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane

C29H35N4O2P — CID 5187692

IUPACtert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane
SMILESCCn1c2ccccc2c2cc(P(=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCC3)C(C)(C)C)ccc21
InChIInChI=1S/C29H35N4O2P/c1-6-32-27-12-8-7-11-24(27)25-20-23(15-16-28(25)32)36(29(3,4)5,31-17-9-10-18-31)30-26-19-22(33(34)35)14-13-21(26)2/h7-8,11-16,19-20H,6,9-10,17-18H2,1-5H3
InChIKeyYCARKFGAFUHJAO-UHFFFAOYSA-N
MW502.60 g/mol
LogP8.00
Rot. Bonds5

About tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane

tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane (PubChem CID 5187692) has the molecular formula C29H35N4O2P and a molecular weight of 502.60 g/mol. Its IUPAC name is tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane
PubChem CID5187692
Molecular FormulaC29H35N4O2P
Molecular Weight502.60 g/mol
Exact Mass502.25
IUPAC Nametert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane
SMILESCCn1c2ccccc2c2cc(P(=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCC3)C(C)(C)C)ccc21
InChIInChI=1S/C29H35N4O2P/c1-6-32-27-12-8-7-11-24(27)25-20-23(15-16-28(25)32)36(29(3,4)5,31-17-9-10-18-31)30-26-19-22(33(34)35)14-13-21(26)2/h7-8,11-16,19-20H,6,9-10,17-18H2,1-5H3
InChIKeyYCARKFGAFUHJAO-UHFFFAOYSA-N
XLogP8.00
TPSA63.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(3,4-dimethylphenyl)imino-(9-ethylcarbazol-3-yl)-pyrrolidin-1-yl-λ5-phosphane
CID 25334056
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
tert-butyl-(9-ethylcarbazol-3-yl)-(4-fluorophenyl)imino-piperidin-1-yl-λ5-phosphane
CID 3451696
N-[(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-[(1,3,3-trimethylindol-2-ylidene)methyl]-λ5-phosphanyl]-N-methylmethanamine
CID 4093710
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
CID 134312293
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722587
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
CID 174964795
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methyl-5-nitrophenyl)imino-phenyl-λ5-phosphane
CID 4164849
9-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]carbazole
CID 7060320
1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
CID 932242

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
The IUPAC name of tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane (CID 5187692) is tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane.
What is the SMILES notation for tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
The canonical SMILES for tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane is CCn1c2ccccc2c2cc(P(=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCC3)C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
The InChIKey is YCARKFGAFUHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N4O2P/c1-6-32-27-12-8-7-11-24(27)25-20-23(15-16-28(25)32)36(29(3,4)5,31-17-9-10-18-31)30-26-19-22(33(34)35)14-13-21(26)2/h7-8,11-16,19-20H,6,9-10,17-18H2,1-5H3.
What are the key properties of tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane?
tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane has a molecular weight of 502.60 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane is sourced from PubChem (CID 5187692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).