CID 175958969

C14H12B2 — CID 175958969

IUPAC—
SMILESC1=Cc2c(ccc3ccccc23)CC1.[B].[B]
InChIInChI=1S/C14H12.2B/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1,3-5,7-10H,2,6H2;;
InChIKeyJKVANGKNZNFQPI-UHFFFAOYSA-N
MW201.87 g/mol
LogP3.04
Rot. Bonds

About CID 175958969

CID 175958969 (PubChem CID 175958969) has the molecular formula C14H12B2 and a molecular weight of 201.87 g/mol.

Molecular Properties

Compound NameCID 175958969
PubChem CID175958969
Molecular FormulaC14H12B2
Molecular Weight201.87 g/mol
Exact Mass202.11
IUPAC Name—
SMILESC1=Cc2c(ccc3ccccc23)CC1.[B].[B]
InChIInChI=1S/C14H12.2B/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1,3-5,7-10H,2,6H2;;
InChIKeyJKVANGKNZNFQPI-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.87
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
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6-methyl-1,2-dihydrochrysene
CID 143566629
CID 144989571
CID 144989571
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(27),2,4,6,8,10(28),11,13,15,17(22),20,23,25-tridecaene
CID 143133599
decyl(triethoxy)silane;1,2-dihydrochrysene
CID 174887506
2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17(22),20-nonaene
CID 129174545
heptacyclo[15.9.1.118,22.02,7.09,27.010,15.026,28]octacosa-1,3,7,9(27),10,12,14,16,18,20,22(28),23,25-tridecaene
CID 175301809
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene
CID 123273491
5-fluoro-6-phenyl-1,2-dihydronaphthalene
CID 170408544
4-benzo[a]anthracen-7-yl-2-(5,6-dihydronaphthalen-1-yl)benzenethiol
CID 167274212

Frequently Asked Questions

What is the IUPAC name of CID 175958969?
The IUPAC name of CID 175958969 (CID 175958969) is not available.
What is the SMILES notation for CID 175958969?
The canonical SMILES for CID 175958969 is C1=Cc2c(ccc3ccccc23)CC1.[B].[B].
What is the InChIKey of CID 175958969?
The InChIKey is JKVANGKNZNFQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2B/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1,3-5,7-10H,2,6H2;;.
What are the key properties of CID 175958969?
CID 175958969 has a molecular weight of 201.87 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175958969 is sourced from PubChem (CID 175958969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).