9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole

C27H29NO4 — CID 102342302

IUPAC9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3ccc(OCCOCCOCCOC)cc32)cc1
InChIInChI=1S/C27H29NO4/c1-3-21-8-10-22(11-9-21)28-26-7-5-4-6-24(26)25-13-12-23(20-27(25)28)32-19-18-31-17-16-30-15-14-29-2/h3-13,20H,1,14-19H2,2H3
InChIKeyBGGFBEBJFUUZMV-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.49
Rot. Bonds12

About 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole

9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole (PubChem CID 102342302) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole.

Molecular Properties

Compound Name9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole
PubChem CID102342302
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3ccc(OCCOCCOCCOC)cc32)cc1
InChIInChI=1S/C27H29NO4/c1-3-21-8-10-22(11-9-21)28-26-7-5-4-6-24(26)25-13-12-23(20-27(25)28)32-19-18-31-17-16-30-15-14-29-2/h3-13,20H,1,14-19H2,2H3
InChIKeyBGGFBEBJFUUZMV-UHFFFAOYSA-N
XLogP5.49
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
(4-carbazol-9-ylphenyl)-(4-ethenylphenyl)-dimethylsilane
CID 59489115
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
5-ethenyl-2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]-1,3-dimethoxybenzene
CID 11291660
3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
CID 154697373
9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
CID 138505630
3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 139517794
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
CID 140847862
N-[4-(4-ethenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 166647227
[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite
CID 166959341

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole?
The IUPAC name of 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole (CID 102342302) is 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole.
What is the SMILES notation for 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole?
The canonical SMILES for 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole is C=Cc1ccc(-n2c3ccccc3c3ccc(OCCOCCOCCOC)cc32)cc1.
What is the InChIKey of 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole?
The InChIKey is BGGFBEBJFUUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-3-21-8-10-22(11-9-21)28-26-7-5-4-6-24(26)25-13-12-23(20-27(25)28)32-19-18-31-17-16-30-15-14-29-2/h3-13,20H,1,14-19H2,2H3.
What are the key properties of 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole?
9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole has a molecular weight of 431.53 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole is sourced from PubChem (CID 102342302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).