[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid

C43H28BNO2 — CID 123923323

IUPAC[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1ccccc1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C43H28BNO2/c46-44(47)38-22-10-4-15-29(38)30-16-5-11-23-39(30)45-40-24-12-6-17-31(40)32-25-26-37-41(42(32)45)33-18-3-9-21-36(33)43(37)34-19-7-1-13-27(34)28-14-2-8-20-35(28)43/h1-26,46-47H
InChIKeyYYGIKVOMAHOYKC-UHFFFAOYSA-N
MW601.51 g/mol
LogP8.47
Rot. Bonds3

About [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid

[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid (PubChem CID 123923323) has the molecular formula C43H28BNO2 and a molecular weight of 601.51 g/mol. Its IUPAC name is [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid
PubChem CID123923323
Molecular FormulaC43H28BNO2
Molecular Weight601.51 g/mol
Exact Mass601.22
IUPAC Name[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1ccccc1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C43H28BNO2/c46-44(47)38-22-10-4-15-29(38)30-16-5-11-23-39(30)45-40-24-12-6-17-31(40)32-25-26-37-41(42(32)45)33-18-3-9-21-36(33)43(37)34-19-7-1-13-27(34)28-14-2-8-20-35(28)43/h1-26,46-47H
InChIKeyYYGIKVOMAHOYKC-UHFFFAOYSA-N
XLogP8.47
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.51
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12'-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169060832
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
CID 134551739
CID 134551739
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
3'-methyl-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253720
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208

Frequently Asked Questions

What is the IUPAC name of [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid?
The IUPAC name of [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid (CID 123923323) is [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid.
What is the SMILES notation for [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid?
The canonical SMILES for [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid is OB(O)c1ccccc1-c1ccccc1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21.
What is the InChIKey of [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid?
The InChIKey is YYGIKVOMAHOYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BNO2/c46-44(47)38-22-10-4-15-29(38)30-16-5-11-23-39(30)45-40-24-12-6-17-31(40)32-25-26-37-41(42(32)45)33-18-3-9-21-36(33)43(37)34-19-7-1-13-27(34)28-14-2-8-20-35(28)43/h1-26,46-47H.
What are the key properties of [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid?
[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid has a molecular weight of 601.51 g/mol, XLogP of 8.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid is sourced from PubChem (CID 123923323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).