2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C32H48B2GeO4 — CID 139037624

IUPAC2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC[Ge]1(CCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C32H48B2GeO4/c1-11-13-19-35(20-14-12-2)27-21-23(33-36-29(3,4)30(5,6)37-33)15-17-25(27)26-18-16-24(22-28(26)35)34-38-31(7,8)32(9,10)39-34/h15-18,21-22H,11-14,19-20H2,1-10H3
InChIKeyALCBGAMXYJIWPF-UHFFFAOYSA-N
MW590.97 g/mol
LogP5.43
Rot. Bonds8

About 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 139037624) has the molecular formula C32H48B2GeO4 and a molecular weight of 590.97 g/mol. Its IUPAC name is 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID139037624
Molecular FormulaC32H48B2GeO4
Molecular Weight590.97 g/mol
Exact Mass592.30
IUPAC Name2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC[Ge]1(CCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C32H48B2GeO4/c1-11-13-19-35(20-14-12-2)27-21-23(33-36-29(3,4)30(5,6)37-33)15-17-25(27)26-18-16-24(22-28(26)35)34-38-31(7,8)32(9,10)39-34/h15-18,21-22H,11-14,19-20H2,1-10H3
InChIKeyALCBGAMXYJIWPF-UHFFFAOYSA-N
XLogP5.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.97
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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

4,4,5,5-tetramethyl-2-[9-tetradecyl-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-1,3,2-dioxaborolane
CID 140887341
2-(7-dodecyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71446323
2-(3,4-dioctoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58879562
2-butoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 75486551
CID 102196609
CID 102196609
4,4,5,5-tetramethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-1,3,2-dioxaborolane
CID 157187261
4,4,5,5-tetramethyl-2-(4-octoxyphenyl)-1,3,2-dioxaborolane
CID 130161708
2-[9-(3-hexyl-5-methylphenyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123351004
N-[4-(2-butyl-4-pentylphenyl)phenyl]-N-[4-(2,4-dibutylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 178088787
(3E)-3-[2-oxo-1-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-3-ylidene]-1-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
CID 140849907
N-[4-(4-butylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 153472793
2-[6-butoxy-5-[2-butoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160905440

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 139037624) is 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC[Ge]1(CCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ALCBGAMXYJIWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48B2GeO4/c1-11-13-19-35(20-14-12-2)27-21-23(33-36-29(3,4)30(5,6)37-33)15-17-25(27)26-18-16-24(22-28(26)35)34-38-31(7,8)32(9,10)39-34/h15-18,21-22H,11-14,19-20H2,1-10H3.
What are the key properties of 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 590.97 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dibutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzogermol-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 139037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).