N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline

C28H34BrN2O3P — CID 71607939

IUPACN-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline
SMILESCCOP(=O)(OCC)C(Nc1ccc(C(C)C)cc1)c1ccc2c(c1)c1cc(Br)ccc1n2CC
InChIInChI=1S/C28H34BrN2O3P/c1-6-31-26-15-11-21(17-24(26)25-18-22(29)12-16-27(25)31)28(35(32,33-7-2)34-8-3)30-23-13-9-20(10-14-23)19(4)5/h9-19,28,30H,6-8H2,1-5H3
InChIKeyKTBJFGWNBNBBJG-UHFFFAOYSA-N
MW557.47 g/mol
LogP9.08
Rot. Bonds10

About N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline

N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline (PubChem CID 71607939) has the molecular formula C28H34BrN2O3P and a molecular weight of 557.47 g/mol. Its IUPAC name is N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline
PubChem CID71607939
Molecular FormulaC28H34BrN2O3P
Molecular Weight557.47 g/mol
Exact Mass556.15
IUPAC NameN-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline
SMILESCCOP(=O)(OCC)C(Nc1ccc(C(C)C)cc1)c1ccc2c(c1)c1cc(Br)ccc1n2CC
InChIInChI=1S/C28H34BrN2O3P/c1-6-31-26-15-11-21(17-24(26)25-18-22(29)12-16-27(25)31)28(35(32,33-7-2)34-8-3)30-23-13-9-20(10-14-23)19(4)5/h9-19,28,30H,6-8H2,1-5H3
InChIKeyKTBJFGWNBNBBJG-UHFFFAOYSA-N
XLogP9.08
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.47
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]amino]phenol
CID 71530842
N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-4-propan-2-ylaniline
CID 7083751
N-[(3-bromophenyl)-diethoxyphosphorylmethyl]-3-methylaniline
CID 25227809
N-[(4-bromophenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-chloroaniline
CID 4299844
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
CID 51861099
2-[diethoxyphosphoryl-[(9-ethylcarbazol-3-yl)amino]methyl]-5-(diethylamino)phenol
CID 56934910
4-[(R)-(4-chloroanilino)-diethoxyphosphorylmethyl]phenol;N,N-dimethylformamide
CID 139086862
N-[diethoxyphosphoryl-(4-nitrophenyl)methyl]-4-methylaniline
CID 102432813
N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
CID 18859987
2-chloro-1-ethyl-5-propan-2-ylindole-3-carbaldehyde
CID 82268593
3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide
CID 3260745
3-chloro-N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]aniline
CID 21210791

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline (CID 71607939) is N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline is CCOP(=O)(OCC)C(Nc1ccc(C(C)C)cc1)c1ccc2c(c1)c1cc(Br)ccc1n2CC.
What is the InChIKey of N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline?
The InChIKey is KTBJFGWNBNBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34BrN2O3P/c1-6-31-26-15-11-21(17-24(26)25-18-22(29)12-16-27(25)31)28(35(32,33-7-2)34-8-3)30-23-13-9-20(10-14-23)19(4)5/h9-19,28,30H,6-8H2,1-5H3.
What are the key properties of N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline?
N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline has a molecular weight of 557.47 g/mol, XLogP of 9.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-9-ethylcarbazol-3-yl)-diethoxyphosphorylmethyl]-4-propan-2-ylaniline is sourced from PubChem (CID 71607939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).