4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]

C27H25Br — CID 145082604

IUPAC4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]
SMILESC=CC1=C(/C=C\C)C2(c3ccccc3-c3ccccc32)C(/C(Br)=C\C)C1C=C
InChIInChI=1S/C27H25Br/c1-5-13-22-18(6-2)19(7-3)26(25(28)8-4)27(22)23-16-11-9-14-20(23)21-15-10-12-17-24(21)27/h5-17,19,26H,2-3H2,1,4H3/b13-5-,25-8+
InChIKeyNVTHJTFCKKBVLD-KPNOTNEASA-N
MW429.40 g/mol
LogP7.74
Rot. Bonds4

About 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]

4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene] (PubChem CID 145082604) has the molecular formula C27H25Br and a molecular weight of 429.40 g/mol. Its IUPAC name is 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene].

Molecular Properties

Compound Name4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]
PubChem CID145082604
Molecular FormulaC27H25Br
Molecular Weight429.40 g/mol
Exact Mass428.11
IUPAC Name4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]
SMILESC=CC1=C(/C=C\C)C2(c3ccccc3-c3ccccc32)C(/C(Br)=C\C)C1C=C
InChIInChI=1S/C27H25Br/c1-5-13-22-18(6-2)19(7-3)26(25(28)8-4)27(22)23-16-11-9-14-20(23)21-15-10-12-17-24(21)27/h5-17,19,26H,2-3H2,1,4H3/b13-5-,25-8+
InChIKeyNVTHJTFCKKBVLD-KPNOTNEASA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
acetylene;1-ethenyl-2,3-dimethyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,9'-fluorene];methane;prop-1-ene
CID 145096318
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
1,2'-bis[(1Z)-buta-1,3-dienyl]-2,3'-bis(ethenyl)-3-methyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
CID 174069889
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]
CID 145110832
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
CID 143139449
1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 145284483
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]?
The IUPAC name of 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene] (CID 145082604) is 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene].
What is the SMILES notation for 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]?
The canonical SMILES for 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene] is C=CC1=C(/C=C\C)C2(c3ccccc3-c3ccccc32)C(/C(Br)=C\C)C1C=C.
What is the InChIKey of 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]?
The InChIKey is NVTHJTFCKKBVLD-KPNOTNEASA-N. The full InChI is InChI=1S/C27H25Br/c1-5-13-22-18(6-2)19(7-3)26(25(28)8-4)27(22)23-16-11-9-14-20(23)21-15-10-12-17-24(21)27/h5-17,19,26H,2-3H2,1,4H3/b13-5-,25-8+.
What are the key properties of 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene]?
4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene] has a molecular weight of 429.40 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-bromoprop-1-enyl]-1,5-bis(ethenyl)-2-[(Z)-prop-1-enyl]spiro[cyclopentene-3,9'-fluorene] is sourced from PubChem (CID 145082604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).