4,5-dimethylphenanthro[9,10-b]pyridine

C19H15N — CID 140895992

IUPAC4,5-dimethylphenanthro[9,10-b]pyridine
SMILESCc1cccc2c3ccccc3c3nccc(C)c3c12
InChIInChI=1S/C19H15N/c1-12-6-5-9-15-14-7-3-4-8-16(14)19-18(17(12)15)13(2)10-11-20-19/h3-11H,1-2H3
InChIKeyPVIBVDOXWYTPBQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP5.16
Rot. Bonds

About 4,5-dimethylphenanthro[9,10-b]pyridine

4,5-dimethylphenanthro[9,10-b]pyridine (PubChem CID 140895992) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 4,5-dimethylphenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name4,5-dimethylphenanthro[9,10-b]pyridine
PubChem CID140895992
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name4,5-dimethylphenanthro[9,10-b]pyridine
SMILESCc1cccc2c3ccccc3c3nccc(C)c3c12
InChIInChI=1S/C19H15N/c1-12-6-5-9-15-14-7-3-4-8-16(14)19-18(17(12)15)13(2)10-11-20-19/h3-11H,1-2H3
InChIKeyPVIBVDOXWYTPBQ-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.34
LogP ≤ 55.16
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

1,5,12-trimethyltriphenylene
CID 102264978
9,11-diazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 171757256
4,5,6,7-tetramethyl-1,10-phenanthroline
CID 67115643
13-azaheptacyclo[14.10.2.02,11.04,9.012,28.017,22.023,27]octacosa-1(26),2,4,6,8,10,12,14,16(28),17,19,21,23(27),24-tetradecaene
CID 176656067
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
11-methyl-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene-10-carbonitrile
CID 163682115
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
N,4-dimethylbenzo[h]quinolin-6-amine
CID 177168582
4-methyl-8-pyridin-2-ylquinoline
CID 151677322
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
3-methyl-2H-phenanthro[9,10-c]pyrazole
CID 134820650
23-oxa-4-azahexacyclo[17.3.1.05,22.06,11.012,21.015,20]tricosa-1(22),2,4,6,8,10,12(21),13,15(20),16,18-undecaene
CID 176764976

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylphenanthro[9,10-b]pyridine?
The IUPAC name of 4,5-dimethylphenanthro[9,10-b]pyridine (CID 140895992) is 4,5-dimethylphenanthro[9,10-b]pyridine.
What is the SMILES notation for 4,5-dimethylphenanthro[9,10-b]pyridine?
The canonical SMILES for 4,5-dimethylphenanthro[9,10-b]pyridine is Cc1cccc2c3ccccc3c3nccc(C)c3c12.
What is the InChIKey of 4,5-dimethylphenanthro[9,10-b]pyridine?
The InChIKey is PVIBVDOXWYTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-12-6-5-9-15-14-7-3-4-8-16(14)19-18(17(12)15)13(2)10-11-20-19/h3-11H,1-2H3.
What are the key properties of 4,5-dimethylphenanthro[9,10-b]pyridine?
4,5-dimethylphenanthro[9,10-b]pyridine has a molecular weight of 257.34 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylphenanthro[9,10-b]pyridine is sourced from PubChem (CID 140895992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).