CID 102222125

C27H19 — CID 102222125

IUPAC—
SMILESCC(C)(C)C1=Cc2cc3ccc4ccc5ccc6cc(c2c2c6c5c4c32)[CH]1
InChIInChI=1S/C27H19/c1-27(2,3)20-12-18-10-16-8-6-14-4-5-15-7-9-17-11-19(13-20)21(18)26-24(16)22(14)23(15)25(17)26/h4-13H,1-3H3
InChIKeyISJHHIACIYHHAK-UHFFFAOYSA-N
MW343.45 g/mol
LogP7.76
Rot. Bonds

About CID 102222125

CID 102222125 (PubChem CID 102222125) has the molecular formula C27H19 and a molecular weight of 343.45 g/mol.

Molecular Properties

Compound NameCID 102222125
PubChem CID102222125
Molecular FormulaC27H19
Molecular Weight343.45 g/mol
Exact Mass343.15
IUPAC Name—
SMILESCC(C)(C)C1=Cc2cc3ccc4ccc5ccc6cc(c2c2c6c5c4c32)[CH]1
InChIInChI=1S/C27H19/c1-27(2,3)20-12-18-10-16-8-6-14-4-5-15-7-9-17-11-19(13-20)21(18)26-24(16)22(14)23(15)25(17)26/h4-13H,1-3H3
InChIKeyISJHHIACIYHHAK-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102222125?
The IUPAC name of CID 102222125 (CID 102222125) is not available.
What is the SMILES notation for CID 102222125?
The canonical SMILES for CID 102222125 is CC(C)(C)C1=Cc2cc3ccc4ccc5ccc6cc(c2c2c6c5c4c32)[CH]1.
What is the InChIKey of CID 102222125?
The InChIKey is ISJHHIACIYHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19/c1-27(2,3)20-12-18-10-16-8-6-14-4-5-15-7-9-17-11-19(13-20)21(18)26-24(16)22(14)23(15)25(17)26/h4-13H,1-3H3.
What are the key properties of CID 102222125?
CID 102222125 has a molecular weight of 343.45 g/mol, XLogP of 7.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102222125 is sourced from PubChem (CID 102222125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).