CID 101174236

C20H17+ — CID 101174236

IUPAC—
SMILESC1=CC(=C2C3C4C5[C+](C6C=CC=C6)C6C4C2[C@@H]6C35)C=C1
InChIInChI=1S/C20H17/c1-2-6-9(5-1)11-13-17-15-12(10-7-3-4-8-10)16-19(17)14(11)20(16)18(13)15/h1-9,13-20H/q+1/t13?,14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyKAAVQFRZXBYSGM-FLAZHSQTSA-N
MW257.36 g/mol
LogP3.72
Rot. Bonds1

About CID 101174236

CID 101174236 (PubChem CID 101174236) has the molecular formula C20H17+ and a molecular weight of 257.36 g/mol.

Molecular Properties

Compound NameCID 101174236
PubChem CID101174236
Molecular FormulaC20H17+
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name—
SMILESC1=CC(=C2C3C4C5[C+](C6C=CC=C6)C6C4C2[C@@H]6C35)C=C1
InChIInChI=1S/C20H17/c1-2-6-9(5-1)11-13-17-15-12(10-7-3-4-8-10)16-19(17)14(11)20(16)18(13)15/h1-9,13-20H/q+1/t13?,14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyKAAVQFRZXBYSGM-FLAZHSQTSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 101174236 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
CID 91364988
14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
CID 12513435
tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene
CID 13484330
2-tert-butyl-3aH-benzimidazole
CID 53405530
3-nitrocyclohepta-2,4,6-triene-1,2-diamine
CID 143416532
5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene
CID 101465899
2-tert-butyl-3aH-indole;2,2-dimethylpropane
CID 167620076
8a-methyl-1H-naphthalene-1,4-diamine
CID 163261239
6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
CID 141112183
1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione
CID 100972949
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
CID 101353310
CID 101353310

Frequently Asked Questions

What is the IUPAC name of CID 101174236?
The IUPAC name of CID 101174236 (CID 101174236) is not available.
What is the SMILES notation for CID 101174236?
The canonical SMILES for CID 101174236 is C1=CC(=C2C3C4C5[C+](C6C=CC=C6)C6C4C2[C@@H]6C35)C=C1.
What is the InChIKey of CID 101174236?
The InChIKey is KAAVQFRZXBYSGM-FLAZHSQTSA-N. The full InChI is InChI=1S/C20H17/c1-2-6-9(5-1)11-13-17-15-12(10-7-3-4-8-10)16-19(17)14(11)20(16)18(13)15/h1-9,13-20H/q+1/t13?,14?,15?,16?,17-,18?,19?,20?/m1/s1.
What are the key properties of CID 101174236?
CID 101174236 has a molecular weight of 257.36 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101174236 is sourced from PubChem (CID 101174236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).