9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine

C44H48N4O8 — CID 138505633

IUPAC9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine
SMILESCOCCOCCOCCn1c2ccccc2c2cc(N(c3ccc([N+](=O)[O-])cc3)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)ccc21
InChIInChI=1S/C44H48N4O8/c1-51-23-25-55-29-27-53-21-19-45-41-9-5-3-7-37(41)39-31-35(15-17-43(39)45)47(33-11-13-34(14-12-33)48(49)50)36-16-18-44-40(32-36)38-8-4-6-10-42(38)46(44)20-22-54-28-30-56-26-24-52-2/h3-18,31-32H,19-30H2,1-2H3
InChIKeyQKIZNYAQIVNQFF-UHFFFAOYSA-N
MW760.89 g/mol
LogP8.64
Rot. Bonds22

About 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine

9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine (PubChem CID 138505633) has the molecular formula C44H48N4O8 and a molecular weight of 760.89 g/mol. Its IUPAC name is 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine
PubChem CID138505633
Molecular FormulaC44H48N4O8
Molecular Weight760.89 g/mol
Exact Mass760.35
IUPAC Name9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine
SMILESCOCCOCCOCCn1c2ccccc2c2cc(N(c3ccc([N+](=O)[O-])cc3)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)ccc21
InChIInChI=1S/C44H48N4O8/c1-51-23-25-55-29-27-53-21-19-45-41-9-5-3-7-37(41)39-31-35(15-17-43(39)45)47(33-11-13-34(14-12-33)48(49)50)36-16-18-44-40(32-36)38-8-4-6-10-42(38)46(44)20-22-54-28-30-56-26-24-52-2/h3-18,31-32H,19-30H2,1-2H3
InChIKeyQKIZNYAQIVNQFF-UHFFFAOYSA-N
XLogP8.64
TPSA111.62 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.89
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(2-ethoxyethoxy)ethyl]-N-[9-[2-(2-ethoxyethoxy)ethyl]-4b,8a-dihydrocarbazol-3-yl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]carbazol-3-amine
CID 138520052
1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene
CID 174264665
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
1-[2-(2-methoxyethoxy)ethyl]-5-nitroindole
CID 116619105
3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
CID 174674569
11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
3-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]propyl 2-methylprop-2-enoate
CID 102506876
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
CID 174964795
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
CID 134312293
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide
CID 5159986
ethane;3-nitro-9-[2-(oxan-2-yloxy)ethyl]carbazole
CID 145023696

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
The IUPAC name of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine (CID 138505633) is 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine.
What is the SMILES notation for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
The canonical SMILES for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine is COCCOCCOCCn1c2ccccc2c2cc(N(c3ccc([N+](=O)[O-])cc3)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)ccc21.
What is the InChIKey of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
The InChIKey is QKIZNYAQIVNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N4O8/c1-51-23-25-55-29-27-53-21-19-45-41-9-5-3-7-37(41)39-31-35(15-17-43(39)45)47(33-11-13-34(14-12-33)48(49)50)36-16-18-44-40(32-36)38-8-4-6-10-42(38)46(44)20-22-54-28-30-56-26-24-52-2/h3-18,31-32H,19-30H2,1-2H3.
What are the key properties of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine has a molecular weight of 760.89 g/mol, XLogP of 8.64, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine is sourced from PubChem (CID 138505633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).