2-tert-butylphenanthro[9,10-b]pyridine

C21H19N — CID 90180532

IUPAC2-tert-butylphenanthro[9,10-b]pyridine
SMILESCC(C)(C)c1ccc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H19N/c1-21(2,3)19-13-12-18-16-10-5-4-8-14(16)15-9-6-7-11-17(15)20(18)22-19/h4-13H,1-3H3
InChIKeyXVRQTGMADLGFKO-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.84
Rot. Bonds

About 2-tert-butylphenanthro[9,10-b]pyridine

2-tert-butylphenanthro[9,10-b]pyridine (PubChem CID 90180532) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butylphenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name2-tert-butylphenanthro[9,10-b]pyridine
PubChem CID90180532
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-tert-butylphenanthro[9,10-b]pyridine
SMILESCC(C)(C)c1ccc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H19N/c1-21(2,3)19-13-12-18-16-10-5-4-8-14(16)15-9-6-7-11-17(15)20(18)22-19/h4-13H,1-3H3
InChIKeyXVRQTGMADLGFKO-UHFFFAOYSA-N
XLogP5.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;triphenylene
CID 143354437
2-tert-butylquinolin-8-amine
CID 119094982
2-tert-butylquinoline;methane
CID 164995315
2-tert-butylbenzo[f]quinoxaline
CID 164810163
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
2,9-ditert-butyl-4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline
CID 171419045
2-iodo-11-methylphenanthro[9,10-b]pyridine
CID 166789626
2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 67988496
2-tert-butyl-5,6-dimethoxyquinolin-8-amine
CID 22262997
2,9-ditert-butyl-4-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,10-phenanthroline
CID 171419215
2,4-ditert-butylquinolin-8-amine
CID 153459078
6-tert-butyl-9-chlorobenzo[c]phenanthridine
CID 23628389

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenanthro[9,10-b]pyridine?
The IUPAC name of 2-tert-butylphenanthro[9,10-b]pyridine (CID 90180532) is 2-tert-butylphenanthro[9,10-b]pyridine.
What is the SMILES notation for 2-tert-butylphenanthro[9,10-b]pyridine?
The canonical SMILES for 2-tert-butylphenanthro[9,10-b]pyridine is CC(C)(C)c1ccc2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 2-tert-butylphenanthro[9,10-b]pyridine?
The InChIKey is XVRQTGMADLGFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-21(2,3)19-13-12-18-16-10-5-4-8-14(16)15-9-6-7-11-17(15)20(18)22-19/h4-13H,1-3H3.
What are the key properties of 2-tert-butylphenanthro[9,10-b]pyridine?
2-tert-butylphenanthro[9,10-b]pyridine has a molecular weight of 285.39 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenanthro[9,10-b]pyridine is sourced from PubChem (CID 90180532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).