CID 173468028

C18H17B — CID 173468028

IUPAC—
SMILES[B]C/C=C1\c2ccccc2CCc2cc(C)ccc21
InChIInChI=1S/C18H17B/c1-13-6-9-17-15(12-13)8-7-14-4-2-3-5-16(14)18(17)10-11-19/h2-6,9-10,12H,7-8,11H2,1H3/b18-10+
InChIKeyXJVNFYOPJVWABU-VCHYOVAHSA-N
MW244.15 g/mol
LogP4.11
Rot. Bonds1

About CID 173468028

CID 173468028 (PubChem CID 173468028) has the molecular formula C18H17B and a molecular weight of 244.15 g/mol.

Molecular Properties

Compound NameCID 173468028
PubChem CID173468028
Molecular FormulaC18H17B
Molecular Weight244.15 g/mol
Exact Mass244.14
IUPAC Name—
SMILES[B]C/C=C1\c2ccccc2CCc2cc(C)ccc21
InChIInChI=1S/C18H17B/c1-13-6-9-17-15(12-13)8-7-14-4-2-3-5-16(14)18(17)10-11-19/h2-6,9-10,12H,7-8,11H2,1H3/b18-10+
InChIKeyXJVNFYOPJVWABU-VCHYOVAHSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
(3Z)-3-(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 146488072
(3E)-3-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 90474628
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142906496
trimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium iodide
CID 134990261
N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]nitrous amide
CID 165459181

Frequently Asked Questions

What is the IUPAC name of CID 173468028?
The IUPAC name of CID 173468028 (CID 173468028) is not available.
What is the SMILES notation for CID 173468028?
The canonical SMILES for CID 173468028 is [B]C/C=C1\c2ccccc2CCc2cc(C)ccc21.
What is the InChIKey of CID 173468028?
The InChIKey is XJVNFYOPJVWABU-VCHYOVAHSA-N. The full InChI is InChI=1S/C18H17B/c1-13-6-9-17-15(12-13)8-7-14-4-2-3-5-16(14)18(17)10-11-19/h2-6,9-10,12H,7-8,11H2,1H3/b18-10+.
What are the key properties of CID 173468028?
CID 173468028 has a molecular weight of 244.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173468028 is sourced from PubChem (CID 173468028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).