2-naphthalen-2-ylphenanthrene

C24H16 — CID 90738367

IUPAC2-naphthalen-2-ylphenanthrene
SMILESc1ccc2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2c1
InChIInChI=1S/C24H16/c1-2-7-19-15-20(11-9-17(19)5-1)21-13-14-24-22(16-21)12-10-18-6-3-4-8-23(18)24/h1-16H
InChIKeyQBMZRSJHMWBVKU-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.81
Rot. Bonds1

About 2-naphthalen-2-ylphenanthrene

2-naphthalen-2-ylphenanthrene (PubChem CID 90738367) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-naphthalen-2-ylphenanthrene.

Molecular Properties

Compound Name2-naphthalen-2-ylphenanthrene
PubChem CID90738367
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name2-naphthalen-2-ylphenanthrene
SMILESc1ccc2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2c1
InChIInChI=1S/C24H16/c1-2-7-19-15-20(11-9-17(19)5-1)21-13-14-24-22(16-21)12-10-18-6-3-4-8-23(18)24/h1-16H
InChIKeyQBMZRSJHMWBVKU-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.81
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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Related Compounds

3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59399010
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
ethane;2-[6-(6-picen-2-ylnaphthalen-2-yl)naphthalen-2-yl]picene
CID 144660008
5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 140710779
2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
CID 59629127
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylphenanthrene?
The IUPAC name of 2-naphthalen-2-ylphenanthrene (CID 90738367) is 2-naphthalen-2-ylphenanthrene.
What is the SMILES notation for 2-naphthalen-2-ylphenanthrene?
The canonical SMILES for 2-naphthalen-2-ylphenanthrene is c1ccc2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-ylphenanthrene?
The InChIKey is QBMZRSJHMWBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-2-7-19-15-20(11-9-17(19)5-1)21-13-14-24-22(16-21)12-10-18-6-3-4-8-23(18)24/h1-16H.
What are the key properties of 2-naphthalen-2-ylphenanthrene?
2-naphthalen-2-ylphenanthrene has a molecular weight of 304.39 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylphenanthrene is sourced from PubChem (CID 90738367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).