CID 90167817

C24H15BNO3 — CID 90167817

IUPAC—
SMILESO[B]Oc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C24H15BNO3/c27-25-29-16-10-12-24-20(14-16)19-13-15(9-11-23(19)28-24)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27H
InChIKeyPIFGIWRHWKNCNU-UHFFFAOYSA-N
MW376.20 g/mol
LogP5.59
Rot. Bonds3

About CID 90167817

CID 90167817 (PubChem CID 90167817) has the molecular formula C24H15BNO3 and a molecular weight of 376.20 g/mol.

Molecular Properties

Compound NameCID 90167817
PubChem CID90167817
Molecular FormulaC24H15BNO3
Molecular Weight376.20 g/mol
Exact Mass376.11
IUPAC Name—
SMILESO[B]Oc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C24H15BNO3/c27-25-29-16-10-12-24-20(14-16)19-13-15(9-11-23(19)28-24)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27H
InChIKeyPIFGIWRHWKNCNU-UHFFFAOYSA-N
XLogP5.59
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 167347604
CID 159585625
CID 159585625
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
CID 158708509
CID 158708509
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372

Frequently Asked Questions

What is the IUPAC name of CID 90167817?
The IUPAC name of CID 90167817 (CID 90167817) is not available.
What is the SMILES notation for CID 90167817?
The canonical SMILES for CID 90167817 is O[B]Oc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of CID 90167817?
The InChIKey is PIFGIWRHWKNCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BNO3/c27-25-29-16-10-12-24-20(14-16)19-13-15(9-11-23(19)28-24)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27H.
What are the key properties of CID 90167817?
CID 90167817 has a molecular weight of 376.20 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90167817 is sourced from PubChem (CID 90167817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).