2,9-dimethylnaphtho[1,2-b]phenanthrene

C24H18 — CID 58426646

IUPAC2,9-dimethylnaphtho[1,2-b]phenanthrene
SMILESCc1ccc2ccc3cc4c(ccc5ccc(C)cc54)cc3c2c1
InChIInChI=1S/C24H18/c1-15-3-5-17-7-9-19-14-24-20(13-23(19)21(17)11-15)10-8-18-6-4-16(2)12-22(18)24/h3-14H,1-2H3
InChIKeyKGSSWMNAOYTUQL-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.92
Rot. Bonds

About 2,9-dimethylnaphtho[1,2-b]phenanthrene

2,9-dimethylnaphtho[1,2-b]phenanthrene (PubChem CID 58426646) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,9-dimethylnaphtho[1,2-b]phenanthrene.

Molecular Properties

Compound Name2,9-dimethylnaphtho[1,2-b]phenanthrene
PubChem CID58426646
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name2,9-dimethylnaphtho[1,2-b]phenanthrene
SMILESCc1ccc2ccc3cc4c(ccc5ccc(C)cc54)cc3c2c1
InChIInChI=1S/C24H18/c1-15-3-5-17-7-9-19-14-24-20(13-23(19)21(17)11-15)10-8-18-6-4-16(2)12-22(18)24/h3-14H,1-2H3
InChIKeyKGSSWMNAOYTUQL-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylnaphtho[1,2-b]phenanthrene?
The IUPAC name of 2,9-dimethylnaphtho[1,2-b]phenanthrene (CID 58426646) is 2,9-dimethylnaphtho[1,2-b]phenanthrene.
What is the SMILES notation for 2,9-dimethylnaphtho[1,2-b]phenanthrene?
The canonical SMILES for 2,9-dimethylnaphtho[1,2-b]phenanthrene is Cc1ccc2ccc3cc4c(ccc5ccc(C)cc54)cc3c2c1.
What is the InChIKey of 2,9-dimethylnaphtho[1,2-b]phenanthrene?
The InChIKey is KGSSWMNAOYTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-15-3-5-17-7-9-19-14-24-20(13-23(19)21(17)11-15)10-8-18-6-4-16(2)12-22(18)24/h3-14H,1-2H3.
What are the key properties of 2,9-dimethylnaphtho[1,2-b]phenanthrene?
2,9-dimethylnaphtho[1,2-b]phenanthrene has a molecular weight of 306.41 g/mol, XLogP of 6.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylnaphtho[1,2-b]phenanthrene is sourced from PubChem (CID 58426646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).