2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate

C32H27NO6 — CID 163994910

IUPAC2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(OCCOC(=O)C=C)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C32H27NO6/c1-3-30(34)38-17-15-36-24-19-23(20-25(21-24)37-16-18-39-31(35)4-2)33-28-12-8-7-11-27(28)32-26-10-6-5-9-22(26)13-14-29(32)33/h3-14,19-21H,1-2,15-18H2
InChIKeyUDVMPGDMLDTWKH-UHFFFAOYSA-N
MW521.57 g/mol
LogP6.15
Rot. Bonds11

About 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate

2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate (PubChem CID 163994910) has the molecular formula C32H27NO6 and a molecular weight of 521.57 g/mol. Its IUPAC name is 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
PubChem CID163994910
Molecular FormulaC32H27NO6
Molecular Weight521.57 g/mol
Exact Mass521.18
IUPAC Name2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(OCCOC(=O)C=C)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C32H27NO6/c1-3-30(34)38-17-15-36-24-19-23(20-25(21-24)37-16-18-39-31(35)4-2)33-28-12-8-7-11-27(28)32-26-10-6-5-9-22(26)13-14-29(32)33/h3-14,19-21H,1-2,15-18H2
InChIKeyUDVMPGDMLDTWKH-UHFFFAOYSA-N
XLogP6.15
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate;2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 167551576
[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
CID 171607196
5-benzo[c]carbazol-7-ylbenzene-1,3-diol
CID 164835898
6-[3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-(4-oxohexoxy)phenoxy]hexan-3-one
CID 164835904
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole
CID 102040847
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate (CID 163994910) is 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cc(OCCOC(=O)C=C)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
The InChIKey is UDVMPGDMLDTWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO6/c1-3-30(34)38-17-15-36-24-19-23(20-25(21-24)37-16-18-39-31(35)4-2)33-28-12-8-7-11-27(28)32-26-10-6-5-9-22(26)13-14-29(32)33/h3-14,19-21H,1-2,15-18H2.
What are the key properties of 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate has a molecular weight of 521.57 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 163994910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).