ethyl 4-carbazol-9-ylbenzoate

C210H170N10O20 — CID 139062390

IUPACethyl 4-carbazol-9-ylbenzoate
SMILESCCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/10C21H17NO2/c10*1-2-24-21(23)15-11-13-16(14-12-15)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h10*3-14H,2H2,1H3
InChIKeySXHNAZUGBHEIBA-UHFFFAOYSA-N
MW3153.72 g/mol
LogP49.60
Rot. Bonds30

About ethyl 4-carbazol-9-ylbenzoate

ethyl 4-carbazol-9-ylbenzoate (PubChem CID 139062390) has the molecular formula C210H170N10O20 and a molecular weight of 3153.72 g/mol. Its IUPAC name is ethyl 4-carbazol-9-ylbenzoate.

Molecular Properties

Compound Nameethyl 4-carbazol-9-ylbenzoate
PubChem CID139062390
Molecular FormulaC210H170N10O20
Molecular Weight3153.72 g/mol
Exact Mass3151.26
IUPAC Nameethyl 4-carbazol-9-ylbenzoate
SMILESCCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/10C21H17NO2/c10*1-2-24-21(23)15-11-13-16(14-12-15)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h10*3-14H,2H2,1H3
InChIKeySXHNAZUGBHEIBA-UHFFFAOYSA-N
XLogP49.60
TPSA312.30 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003153.72
LogP ≤ 549.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-(3,6-Dicarboxycarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarboxylic acid
CID 102346573
9,9'-(1,4-Phenylene)bis(9H-carbazole-3,6-dicarboxylic acid)
CID 102450053
3-[2,2-Bis(1-ethyl-2-methylindol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 21910421
4-[(1,2-Dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one
CID 157225241
Methyl 4-[2,7-bis(3-fluoro-4-formylphenyl)carbazol-9-yl]benzoate
CID 172553220
[(E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)ethylideneamino] benzoate;[(E)-[(9-ethylcarbazol-3-yl)-phenylmethylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2,2,2-trifluoroacetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate
CID 172927586
9-[3-[3,5-Bis(3,6-dicarboxycarbazol-9-yl)phenyl]-5-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid
CID 101560144
Diethyl 2,5-bis(9-ethyl-9H-carbazol-3-yl)terephthalate
CID 122224257
Diethyl 2,5-bis(9-octyl-9H-carbazol-3-yl)terephthalate
CID 122224258
Diethyl 2,5-bis(9-hexadecylcarbazol-3-yl)benzene-1,4-dicarboxylate
CID 122224259
Methyl 4-[45,50-bis(4-ethylphenyl)-23-(4-methoxycarbonylphenyl)-8,33-dioxo-7,34-dioxa-59,60,61,62,71,72,73,78-octazapentadecacyclo[38.14.4.413,28.22,5.29,12.229,32.236,39.114,17.119,22.124,27.141,44.146,49.151,54.155,58.167,70]octaheptaconta-1(54),2(77),3,5(76),9,11,13,15,17,19(72),20,22,24,26,28(67),29(66),30,32(65),36(64),37,39(63),40(58),41,43,45,47,49(61),50,52,55(59),56,68,70(78),74-tetratriacontaen-18-yl]benzoate
CID 134951847
methyl (10E)-5-methyl-6,7,14,15-tetradehydro-8,9,12,13-tetrahydrocyclododeca[b]indole-2-carboxylate
CID 139093756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbazol-9-ylbenzoate?
The IUPAC name of ethyl 4-carbazol-9-ylbenzoate (CID 139062390) is ethyl 4-carbazol-9-ylbenzoate.
What is the SMILES notation for ethyl 4-carbazol-9-ylbenzoate?
The canonical SMILES for ethyl 4-carbazol-9-ylbenzoate is CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CCOC(=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of ethyl 4-carbazol-9-ylbenzoate?
The InChIKey is SXHNAZUGBHEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/10C21H17NO2/c10*1-2-24-21(23)15-11-13-16(14-12-15)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h10*3-14H,2H2,1H3.
What are the key properties of ethyl 4-carbazol-9-ylbenzoate?
ethyl 4-carbazol-9-ylbenzoate has a molecular weight of 3153.72 g/mol, XLogP of 49.60, 30 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbazol-9-ylbenzoate is sourced from PubChem (CID 139062390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).