ethane;2-ethyltriphenylene;9H-fluorene

C37H38 — CID 158463433

IUPACethane;2-ethyltriphenylene;9H-fluorene
SMILESCC.CC.CCc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H16.C13H10.2C2H6/c1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2/h3-13H,2H2,1H3;1-8H,9H2;2*1-2H3
InChIKeyHFLQYJJHMSCTPW-UHFFFAOYSA-N
MW482.71 g/mol
LogP11.02
Rot. Bonds1

About ethane;2-ethyltriphenylene;9H-fluorene

ethane;2-ethyltriphenylene;9H-fluorene (PubChem CID 158463433) has the molecular formula C37H38 and a molecular weight of 482.71 g/mol. Its IUPAC name is ethane;2-ethyltriphenylene;9H-fluorene.

Molecular Properties

Compound Nameethane;2-ethyltriphenylene;9H-fluorene
PubChem CID158463433
Molecular FormulaC37H38
Molecular Weight482.71 g/mol
Exact Mass482.30
IUPAC Nameethane;2-ethyltriphenylene;9H-fluorene
SMILESCC.CC.CCc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H16.C13H10.2C2H6/c1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2/h3-13H,2H2,1H3;1-8H,9H2;2*1-2H3
InChIKeyHFLQYJJHMSCTPW-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 511.02
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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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyltriphenylene;9H-fluorene?
The IUPAC name of ethane;2-ethyltriphenylene;9H-fluorene (CID 158463433) is ethane;2-ethyltriphenylene;9H-fluorene.
What is the SMILES notation for ethane;2-ethyltriphenylene;9H-fluorene?
The canonical SMILES for ethane;2-ethyltriphenylene;9H-fluorene is CC.CC.CCc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;2-ethyltriphenylene;9H-fluorene?
The InChIKey is HFLQYJJHMSCTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C13H10.2C2H6/c1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2/h3-13H,2H2,1H3;1-8H,9H2;2*1-2H3.
What are the key properties of ethane;2-ethyltriphenylene;9H-fluorene?
ethane;2-ethyltriphenylene;9H-fluorene has a molecular weight of 482.71 g/mol, XLogP of 11.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyltriphenylene;9H-fluorene is sourced from PubChem (CID 158463433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).