2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene

C25H20 — CID 58536043

IUPAC2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene
SMILESCC1=C(C)c2cc3cc(-c4ccc5ccccc5c4)ccc3cc2C1
InChIInChI=1S/C25H20/c1-16-11-24-14-22-10-9-21(13-23(22)15-25(24)17(16)2)20-8-7-18-5-3-4-6-19(18)12-20/h3-10,12-15H,11H2,1-2H3
InChIKeyFOGBHEWAXFGISL-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.01
Rot. Bonds1

About 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene

2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene (PubChem CID 58536043) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene
PubChem CID58536043
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene
SMILESCC1=C(C)c2cc3cc(-c4ccc5ccccc5c4)ccc3cc2C1
InChIInChI=1S/C25H20/c1-16-11-24-14-22-10-9-21(13-23(22)15-25(24)17(16)2)20-8-7-18-5-3-4-6-19(18)12-20/h3-10,12-15H,11H2,1-2H3
InChIKeyFOGBHEWAXFGISL-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-6-phenyl-1H-indene
CID 173147949
13,14-dimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),13,15(19)-nonaene
CID 177091322
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
2-naphthalen-2-yl-10H-anthracen-9-one
CID 141288908
3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
CID 102097914
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
9-naphthalen-2-yl-10-[3-(7-phenyl-9H-fluoren-2-yl)phenyl]anthracene
CID 59725438
5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 123783925
benzo[f]azulene
CID 13065869
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene?
The IUPAC name of 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene (CID 58536043) is 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene is CC1=C(C)c2cc3cc(-c4ccc5ccccc5c4)ccc3cc2C1.
What is the InChIKey of 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene?
The InChIKey is FOGBHEWAXFGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-16-11-24-14-22-10-9-21(13-23(22)15-25(24)17(16)2)20-8-7-18-5-3-4-6-19(18)12-20/h3-10,12-15H,11H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene?
2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene has a molecular weight of 320.44 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 58536043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).