CID 144980824

C20H11BO — CID 144980824

IUPAC—
SMILES[B]c1ccc2c(c1)oc1c3ccccc3c3ccccc3c21
InChIInChI=1S/C20H11BO/c21-12-9-10-17-18(11-12)22-20-16-8-4-2-6-14(16)13-5-1-3-7-15(13)19(17)20/h1-11H
InChIKeyWRBOEPHWIMJQAX-UHFFFAOYSA-N
MW278.12 g/mol
LogP4.69
Rot. Bonds

About CID 144980824

CID 144980824 (PubChem CID 144980824) has the molecular formula C20H11BO and a molecular weight of 278.12 g/mol.

Molecular Properties

Compound NameCID 144980824
PubChem CID144980824
Molecular FormulaC20H11BO
Molecular Weight278.12 g/mol
Exact Mass278.09
IUPAC Name—
SMILES[B]c1ccc2c(c1)oc1c3ccccc3c3ccccc3c21
InChIInChI=1S/C20H11BO/c21-12-9-10-17-18(11-12)22-20-16-8-4-2-6-14(16)13-5-1-3-7-15(13)19(17)20/h1-11H
InChIKeyWRBOEPHWIMJQAX-UHFFFAOYSA-N
XLogP4.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

18-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118402724
19-chloro-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348305
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
18-phenyl-5-(3-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933535
N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433676
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
18-phenyl-5-(4-phenylnaphthalen-1-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933539
5,18-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933534
18-(10-dibenzofuran-2-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433540
CID 155656323
CID 155656323
17-chloro-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146616841
5-N,18-N-bis(4-methylphenyl)-5-N,18-N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260427

Frequently Asked Questions

What is the IUPAC name of CID 144980824?
The IUPAC name of CID 144980824 (CID 144980824) is not available.
What is the SMILES notation for CID 144980824?
The canonical SMILES for CID 144980824 is [B]c1ccc2c(c1)oc1c3ccccc3c3ccccc3c21.
What is the InChIKey of CID 144980824?
The InChIKey is WRBOEPHWIMJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BO/c21-12-9-10-17-18(11-12)22-20-16-8-4-2-6-14(16)13-5-1-3-7-15(13)19(17)20/h1-11H.
What are the key properties of CID 144980824?
CID 144980824 has a molecular weight of 278.12 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144980824 is sourced from PubChem (CID 144980824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).