1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene

C20H16 — CID 19892519

IUPAC1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
SMILESC1=CCC(c2ccc3ccccc3c2C2=CC=CC2)=C1
InChIInChI=1S/C20H16/c1-2-8-15(7-1)19-14-13-16-9-5-6-12-18(16)20(19)17-10-3-4-11-17/h1-7,9-10,12-14H,8,11H2
InChIKeyNGVZEFWGPNYBPA-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.53
Rot. Bonds2

About 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene

1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene (PubChem CID 19892519) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene.

Molecular Properties

Compound Name1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
PubChem CID19892519
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
SMILESC1=CCC(c2ccc3ccccc3c2C2=CC=CC2)=C1
InChIInChI=1S/C20H16/c1-2-8-15(7-1)19-14-13-16-9-5-6-12-18(16)20(19)17-10-3-4-11-17/h1-7,9-10,12-14H,8,11H2
InChIKeyNGVZEFWGPNYBPA-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-tri(cyclopenta-1,3-dien-1-yl)triphenylene
CID 175106431
N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
CID 68547599
1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
CID 18328507
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene
CID 139838075
1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
CID 143924056
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;dibenzothiophene
CID 174827544
12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride
CID 173283866
5-naphthalen-1-yl-9H-benzo[7]annulene
CID 142998872
CID 173294525
CID 173294525
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
CID 123673434
[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol
CID 68547710

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene?
The IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene (CID 19892519) is 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene.
What is the SMILES notation for 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene?
The canonical SMILES for 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene is C1=CCC(c2ccc3ccccc3c2C2=CC=CC2)=C1.
What is the InChIKey of 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene?
The InChIKey is NGVZEFWGPNYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-2-8-15(7-1)19-14-13-16-9-5-6-12-18(16)20(19)17-10-3-4-11-17/h1-7,9-10,12-14H,8,11H2.
What are the key properties of 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene?
1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene has a molecular weight of 256.35 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene is sourced from PubChem (CID 19892519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).