4-(1H-inden-1-yl)-2-methylphenanthrene

C24H18 — CID 142655512

IUPAC4-(1H-inden-1-yl)-2-methylphenanthrene
SMILESCc1cc(C2C=Cc3ccccc32)c2c(ccc3ccccc32)c1
InChIInChI=1S/C24H18/c1-16-14-19-11-10-18-7-3-5-9-21(18)24(19)23(15-16)22-13-12-17-6-2-4-8-20(17)22/h2-15,22H,1H3
InChIKeyIETKQOUUDBBZCV-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.46
Rot. Bonds1

About 4-(1H-inden-1-yl)-2-methylphenanthrene

4-(1H-inden-1-yl)-2-methylphenanthrene (PubChem CID 142655512) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(1H-inden-1-yl)-2-methylphenanthrene.

Molecular Properties

Compound Name4-(1H-inden-1-yl)-2-methylphenanthrene
PubChem CID142655512
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name4-(1H-inden-1-yl)-2-methylphenanthrene
SMILESCc1cc(C2C=Cc3ccccc32)c2c(ccc3ccccc32)c1
InChIInChI=1S/C24H18/c1-16-14-19-11-10-18-7-3-5-9-21(18)24(19)23(15-16)22-13-12-17-6-2-4-8-20(17)22/h2-15,22H,1H3
InChIKeyIETKQOUUDBBZCV-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.46
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 4-(1H-inden-1-yl)-2-methylphenanthrene?
The IUPAC name of 4-(1H-inden-1-yl)-2-methylphenanthrene (CID 142655512) is 4-(1H-inden-1-yl)-2-methylphenanthrene.
What is the SMILES notation for 4-(1H-inden-1-yl)-2-methylphenanthrene?
The canonical SMILES for 4-(1H-inden-1-yl)-2-methylphenanthrene is Cc1cc(C2C=Cc3ccccc32)c2c(ccc3ccccc32)c1.
What is the InChIKey of 4-(1H-inden-1-yl)-2-methylphenanthrene?
The InChIKey is IETKQOUUDBBZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-16-14-19-11-10-18-7-3-5-9-21(18)24(19)23(15-16)22-13-12-17-6-2-4-8-20(17)22/h2-15,22H,1H3.
What are the key properties of 4-(1H-inden-1-yl)-2-methylphenanthrene?
4-(1H-inden-1-yl)-2-methylphenanthrene has a molecular weight of 306.41 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-inden-1-yl)-2-methylphenanthrene is sourced from PubChem (CID 142655512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).