9-naphthalen-1-ylphenanthrene

C24H16 — CID 20606742

IUPAC9-naphthalen-1-ylphenanthrene
SMILESc1ccc2c(-c3cc4ccccc4c4ccccc34)cccc2c1
InChIInChI=1S/C24H16/c1-3-11-19-17(8-1)10-7-15-22(19)24-16-18-9-2-4-12-20(18)21-13-5-6-14-23(21)24/h1-16H
InChIKeyQASAVGCYSSUATG-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.81
Rot. Bonds1

About 9-naphthalen-1-ylphenanthrene

9-naphthalen-1-ylphenanthrene (PubChem CID 20606742) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is 9-naphthalen-1-ylphenanthrene.

Molecular Properties

Compound Name9-naphthalen-1-ylphenanthrene
PubChem CID20606742
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name9-naphthalen-1-ylphenanthrene
SMILESc1ccc2c(-c3cc4ccccc4c4ccccc34)cccc2c1
InChIInChI=1S/C24H16/c1-3-11-19-17(8-1)10-7-15-22(19)24-16-18-9-2-4-12-20(18)21-13-5-6-14-23(21)24/h1-16H
InChIKeyQASAVGCYSSUATG-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

9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
8-phenanthren-9-ylisoquinoline
CID 171383107

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-ylphenanthrene?
The IUPAC name of 9-naphthalen-1-ylphenanthrene (CID 20606742) is 9-naphthalen-1-ylphenanthrene.
What is the SMILES notation for 9-naphthalen-1-ylphenanthrene?
The canonical SMILES for 9-naphthalen-1-ylphenanthrene is c1ccc2c(-c3cc4ccccc4c4ccccc34)cccc2c1.
What is the InChIKey of 9-naphthalen-1-ylphenanthrene?
The InChIKey is QASAVGCYSSUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-3-11-19-17(8-1)10-7-15-22(19)24-16-18-9-2-4-12-20(18)21-13-5-6-14-23(21)24/h1-16H.
What are the key properties of 9-naphthalen-1-ylphenanthrene?
9-naphthalen-1-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 9-naphthalen-1-ylphenanthrene is sourced from PubChem (CID 20606742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).