2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate

C34H31NO6 — CID 54408302

IUPAC2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate
SMILESCCn1c2ccccc2c2cc(C=C(c3ccc(OC)cc3)c3ccc(OC(=O)OCCOC(C)=O)cc3)ccc21
InChIInChI=1S/C34H31NO6/c1-4-35-32-8-6-5-7-29(32)31-22-24(9-18-33(31)35)21-30(25-10-14-27(38-3)15-11-25)26-12-16-28(17-13-26)41-34(37)40-20-19-39-23(2)36/h5-18,21-22H,4,19-20H2,1-3H3
InChIKeyVSHUFIGGOFSXNP-UHFFFAOYSA-N
MW549.62 g/mol
LogP7.49
Rot. Bonds9

About 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate

2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate (PubChem CID 54408302) has the molecular formula C34H31NO6 and a molecular weight of 549.62 g/mol. Its IUPAC name is 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate.

Molecular Properties

Compound Name2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate
PubChem CID54408302
Molecular FormulaC34H31NO6
Molecular Weight549.62 g/mol
Exact Mass549.22
IUPAC Name2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate
SMILESCCn1c2ccccc2c2cc(C=C(c3ccc(OC)cc3)c3ccc(OC(=O)OCCOC(C)=O)cc3)ccc21
InChIInChI=1S/C34H31NO6/c1-4-35-32-8-6-5-7-29(32)31-22-24(9-18-33(31)35)21-30(25-10-14-27(38-3)15-11-25)26-12-16-28(17-13-26)41-34(37)40-20-19-39-23(2)36/h5-18,21-22H,4,19-20H2,1-3H3
InChIKeyVSHUFIGGOFSXNP-UHFFFAOYSA-N
XLogP7.49
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
CID 59061614
6-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
CID 59061609
6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721
[4-[(E)-2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582106
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
[4-[(E)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582109
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate?
The IUPAC name of 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate (CID 54408302) is 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate.
What is the SMILES notation for 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate?
The canonical SMILES for 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate is CCn1c2ccccc2c2cc(C=C(c3ccc(OC)cc3)c3ccc(OC(=O)OCCOC(C)=O)cc3)ccc21.
What is the InChIKey of 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate?
The InChIKey is VSHUFIGGOFSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO6/c1-4-35-32-8-6-5-7-29(32)31-22-24(9-18-33(31)35)21-30(25-10-14-27(38-3)15-11-25)26-12-16-28(17-13-26)41-34(37)40-20-19-39-23(2)36/h5-18,21-22H,4,19-20H2,1-3H3.
What are the key properties of 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate?
2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate has a molecular weight of 549.62 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate is sourced from PubChem (CID 54408302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).