2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene

C31H20 — CID 58489360

IUPAC2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
SMILESC1=C(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3ccccc3c2C1
InChIInChI=1S/C31H20/c1-2-8-22-20(7-1)13-15-28-23(17-18-29(22)28)21-14-16-30-26-11-4-3-9-24(26)25-10-5-6-12-27(25)31(30)19-21/h1-17,19H,18H2
InChIKeyGNJGRAQLMNNPEI-UHFFFAOYSA-N
MW392.50 g/mol
LogP8.29
Rot. Bonds1

About 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene

2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene (PubChem CID 58489360) has the molecular formula C31H20 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene.

Molecular Properties

Compound Name2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
PubChem CID58489360
Molecular FormulaC31H20
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
SMILESC1=C(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3ccccc3c2C1
InChIInChI=1S/C31H20/c1-2-8-22-20(7-1)13-15-28-23(17-18-29(22)28)21-14-16-30-26-11-4-3-9-24(26)25-10-5-6-12-27(25)31(30)19-21/h1-17,19H,18H2
InChIKeyGNJGRAQLMNNPEI-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 58.29
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

2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
2-(6-phenanthren-2-ylpyren-1-yl)triphenylene
CID 176846459
15H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 90303427
3-propyl-1H-cyclopenta[a]naphthalene
CID 140856502
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688

Frequently Asked Questions

What is the IUPAC name of 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene?
The IUPAC name of 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene (CID 58489360) is 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene.
What is the SMILES notation for 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene?
The canonical SMILES for 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene is C1=C(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3ccccc3c2C1.
What is the InChIKey of 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene?
The InChIKey is GNJGRAQLMNNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20/c1-2-8-22-20(7-1)13-15-28-23(17-18-29(22)28)21-14-16-30-26-11-4-3-9-24(26)25-10-5-6-12-27(25)31(30)19-21/h1-17,19H,18H2.
What are the key properties of 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene?
2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene has a molecular weight of 392.50 g/mol, XLogP of 8.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene is sourced from PubChem (CID 58489360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).