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

C42H36Si — CID 91228221

IUPAC(2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane
SMILESCCC1=Cc2ccc3ccccc3c2C1[Si](C1=C(CC)Cc2ccc3ccccc3c21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H36Si/c1-3-29-27-33-25-23-31-15-11-13-21-37(31)39(33)41(29)43(35-17-7-5-8-18-35,36-19-9-6-10-20-36)42-30(4-2)28-34-26-24-32-16-12-14-22-38(32)40(34)42/h5-27,41H,3-4,28H2,1-2H3
InChIKeyPXHSPMBMHQDJNY-UHFFFAOYSA-N
MW568.84 g/mol
LogP9.65
Rot. Bonds6

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

(2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane (PubChem CID 91228221) has the molecular formula C42H36Si and a molecular weight of 568.84 g/mol. Its IUPAC name is (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane.

Molecular Properties

Compound Name(2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane
PubChem CID91228221
Molecular FormulaC42H36Si
Molecular Weight568.84 g/mol
Exact Mass568.26
IUPAC Name(2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane
SMILESCCC1=Cc2ccc3ccccc3c2C1[Si](C1=C(CC)Cc2ccc3ccccc3c21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H36Si/c1-3-29-27-33-25-23-31-15-11-13-21-37(31)39(33)41(29)43(35-17-7-5-8-18-35,36-19-9-6-10-20-36)42-30(4-2)28-34-26-24-32-16-12-14-22-38(32)40(34)42/h5-27,41H,3-4,28H2,1-2H3
InChIKeyPXHSPMBMHQDJNY-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.84
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5,6-dichloro-2-ethyl-7-phenyl-1H-inden-1-yl)-(2-ethyl-7-phenyl-3H-inden-1-yl)-dimethylsilane
CID 91164417
bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006637
13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 4558435
2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-amine
CID 118876039
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane
CID 23510663
3H-cyclopenta[a]naphthalene-1,2-dione
CID 67055632
13-methyl-13-phenyl-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 18929281
8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline
CID 87762929
bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006639
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
1-cyclopenta-2,4-dien-1-yl-2-methyl-1H-cyclopenta[a]naphthalene;zirconium(3+);dichloride
CID 159869530

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane?
The IUPAC name of (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane (CID 91228221) is (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane.
What is the SMILES notation for (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane?
The canonical SMILES for (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane is CCC1=Cc2ccc3ccccc3c2C1[Si](C1=C(CC)Cc2ccc3ccccc3c21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane?
The InChIKey is PXHSPMBMHQDJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36Si/c1-3-29-27-33-25-23-31-15-11-13-21-37(31)39(33)41(29)43(35-17-7-5-8-18-35,36-19-9-6-10-20-36)42-30(4-2)28-34-26-24-32-16-12-14-22-38(32)40(34)42/h5-27,41H,3-4,28H2,1-2H3.
What are the key properties of (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane?
(2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane has a molecular weight of 568.84 g/mol, XLogP of 9.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane is sourced from PubChem (CID 91228221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).