2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C38H37BO2 — CID 145092830

IUPAC2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC1=C(/C=C\C)C2(c3ccccc3C3=C1C=CCC3)c1ccccc1-c1c(B3OC(C)(C)C(C)(C)O3)cccc12
InChIInChI=1S/C38H37BO2/c1-7-16-30-25(8-2)26-17-9-10-18-27(26)28-19-11-13-21-31(28)38(30)32-22-14-12-20-29(32)35-33(38)23-15-24-34(35)39-40-36(3,4)37(5,6)41-39/h7-9,11-17,19-24H,2,10,18H2,1,3-6H3/b16-7-
InChIKeyBLRYPGGUMDXHMM-APSNUPSMSA-N
MW536.52 g/mol
LogP8.48
Rot. Bonds3

About 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 145092830) has the molecular formula C38H37BO2 and a molecular weight of 536.52 g/mol. Its IUPAC name is 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID145092830
Molecular FormulaC38H37BO2
Molecular Weight536.52 g/mol
Exact Mass536.29
IUPAC Name2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC1=C(/C=C\C)C2(c3ccccc3C3=C1C=CCC3)c1ccccc1-c1c(B3OC(C)(C)C(C)(C)O3)cccc12
InChIInChI=1S/C38H37BO2/c1-7-16-30-25(8-2)26-17-9-10-18-27(26)28-19-11-13-21-31(28)38(30)32-22-14-12-20-29(32)35-33(38)23-15-24-34(35)39-40-36(3,4)37(5,6)41-39/h7-9,11-17,19-24H,2,10,18H2,1,3-6H3/b16-7-
InChIKeyBLRYPGGUMDXHMM-APSNUPSMSA-N
XLogP8.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.52
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane
CID 162519788
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene
CID 169131024
2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 148755386
9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene;methane
CID 169131023
N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine
CID 142382490
butane;3'-ethenyl-4-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene];1-(4-methylcyclohexa-2,4-dien-1-yl)naphthalene;6-methyl-1,2,11,12-tetrahydrotriphenylene
CID 145204019
butane;1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;3'-ethenyl-3-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene];6-methyl-1,2,11,12-tetrahydrotriphenylene;propane
CID 145204048
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
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

Frequently Asked Questions

What is the IUPAC name of 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 145092830) is 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC1=C(/C=C\C)C2(c3ccccc3C3=C1C=CCC3)c1ccccc1-c1c(B3OC(C)(C)C(C)(C)O3)cccc12.
What is the InChIKey of 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BLRYPGGUMDXHMM-APSNUPSMSA-N. The full InChI is InChI=1S/C38H37BO2/c1-7-16-30-25(8-2)26-17-9-10-18-27(26)28-19-11-13-21-31(28)38(30)32-22-14-12-20-29(32)35-33(38)23-15-24-34(35)39-40-36(3,4)37(5,6)41-39/h7-9,11-17,19-24H,2,10,18H2,1,3-6H3/b16-7-.
What are the key properties of 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 536.52 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 145092830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).