CID 174412764

C18H11B — CID 174412764

IUPAC—
SMILES[B]c1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C18H11B/c19-18-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-17(14)18/h1-11H
InChIKeyZIKXRDDNKUKVAU-UHFFFAOYSA-N
MW238.10 g/mol
LogP3.94
Rot. Bonds

About CID 174412764

CID 174412764 (PubChem CID 174412764) has the molecular formula C18H11B and a molecular weight of 238.10 g/mol.

Molecular Properties

Compound NameCID 174412764
PubChem CID174412764
Molecular FormulaC18H11B
Molecular Weight238.10 g/mol
Exact Mass238.10
IUPAC Name—
SMILES[B]c1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C18H11B/c19-18-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-17(14)18/h1-11H
InChIKeyZIKXRDDNKUKVAU-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 123244422
CID 123244422
heptacen-1-ol
CID 150633624
anthracen-1-ylsulfanium
CID 23128637
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
1-chlorohexacene
CID 87838951
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene;tetracene
CID 173170734
pentacene-1-thiol
CID 86230358
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
gold;pentacene
CID 162013118

Frequently Asked Questions

What is the IUPAC name of CID 174412764?
The IUPAC name of CID 174412764 (CID 174412764) is not available.
What is the SMILES notation for CID 174412764?
The canonical SMILES for CID 174412764 is [B]c1cccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of CID 174412764?
The InChIKey is ZIKXRDDNKUKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11B/c19-18-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-17(14)18/h1-11H.
What are the key properties of CID 174412764?
CID 174412764 has a molecular weight of 238.10 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174412764 is sourced from PubChem (CID 174412764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).