CID 11112856

C21H19 — CID 11112856

IUPAC—
SMILESCC(C)([C]1[CH][CH][CH][CH]1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H19/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3-14,20H,1-2H3
InChIKeyZHRSRWAYEMOQQY-UHFFFAOYSA-N
MW271.38 g/mol
LogP5.23
Rot. Bonds2

About CID 11112856

CID 11112856 (PubChem CID 11112856) has the molecular formula C21H19 and a molecular weight of 271.38 g/mol.

Molecular Properties

Compound NameCID 11112856
PubChem CID11112856
Molecular FormulaC21H19
Molecular Weight271.38 g/mol
Exact Mass271.15
IUPAC Name—
SMILESCC(C)([C]1[CH][CH][CH][CH]1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H19/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3-14,20H,1-2H3
InChIKeyZHRSRWAYEMOQQY-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-(1-chloro-1-phenylethyl)-9H-fluorene
CID 18987529
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 101084307
2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 101016261
9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
CID 23282038
lithium 9-ethyl-9H-fluorene
CID 23225742
9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 140872855
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
N-[2-(9H-fluoren-9-yl)ethyl]-2-methylpropan-2-amine
CID 15325723
N-(3-methylpentan-3-yl)-9H-fluoren-9-amine
CID 106328343

Frequently Asked Questions

What is the IUPAC name of CID 11112856?
The IUPAC name of CID 11112856 (CID 11112856) is not available.
What is the SMILES notation for CID 11112856?
The canonical SMILES for CID 11112856 is CC(C)([C]1[CH][CH][CH][CH]1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of CID 11112856?
The InChIKey is ZHRSRWAYEMOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3-14,20H,1-2H3.
What are the key properties of CID 11112856?
CID 11112856 has a molecular weight of 271.38 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11112856 is sourced from PubChem (CID 11112856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).