6-naphthalen-1-ylbenzo[c]phenanthrene

C28H18 — CID 123608674

IUPAC6-naphthalen-1-ylbenzo[c]phenanthrene
SMILESc1ccc2c(-c3cc4ccccc4c4c3ccc3ccccc34)cccc2c1
InChIInChI=1S/C28H18/c1-4-12-22-19(8-1)11-7-15-25(22)27-18-21-10-3-6-14-24(21)28-23-13-5-2-9-20(23)16-17-26(27)28/h1-18H
InChIKeyLSJLDWSEEDVFMV-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.97
Rot. Bonds1

About 6-naphthalen-1-ylbenzo[c]phenanthrene

6-naphthalen-1-ylbenzo[c]phenanthrene (PubChem CID 123608674) has the molecular formula C28H18 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-naphthalen-1-ylbenzo[c]phenanthrene.

Molecular Properties

Compound Name6-naphthalen-1-ylbenzo[c]phenanthrene
PubChem CID123608674
Molecular FormulaC28H18
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name6-naphthalen-1-ylbenzo[c]phenanthrene
SMILESc1ccc2c(-c3cc4ccccc4c4c3ccc3ccccc34)cccc2c1
InChIInChI=1S/C28H18/c1-4-12-22-19(8-1)11-7-15-25(22)27-18-21-10-3-6-14-24(21)28-23-13-5-2-9-20(23)16-17-26(27)28/h1-18H
InChIKeyLSJLDWSEEDVFMV-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 57.97
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-naphthalen-1-ylphenanthrene
CID 20606742
4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
CID 59638751
1,5-di(phenanthren-9-yl)pyrene
CID 155759767
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
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790
19,19-dimethyl-7-naphthalen-1-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaene
CID 171742619
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
3-methyl-1,6-dinaphthalen-1-ylpyrene
CID 142716789
1-pyren-4-ylpyrene
CID 71343129

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-ylbenzo[c]phenanthrene?
The IUPAC name of 6-naphthalen-1-ylbenzo[c]phenanthrene (CID 123608674) is 6-naphthalen-1-ylbenzo[c]phenanthrene.
What is the SMILES notation for 6-naphthalen-1-ylbenzo[c]phenanthrene?
The canonical SMILES for 6-naphthalen-1-ylbenzo[c]phenanthrene is c1ccc2c(-c3cc4ccccc4c4c3ccc3ccccc34)cccc2c1.
What is the InChIKey of 6-naphthalen-1-ylbenzo[c]phenanthrene?
The InChIKey is LSJLDWSEEDVFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18/c1-4-12-22-19(8-1)11-7-15-25(22)27-18-21-10-3-6-14-24(21)28-23-13-5-2-9-20(23)16-17-26(27)28/h1-18H.
What are the key properties of 6-naphthalen-1-ylbenzo[c]phenanthrene?
6-naphthalen-1-ylbenzo[c]phenanthrene has a molecular weight of 354.45 g/mol, XLogP of 7.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylbenzo[c]phenanthrene is sourced from PubChem (CID 123608674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).