ethane;fluoranthene;triphenylene

C38H34 — CID 160720447

IUPACethane;fluoranthene;triphenylene
SMILESCC.CC.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C16H10.2C2H6/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;2*1-2/h1-12H;1-10H;2*1-2H3
InChIKeyRTANKEDAFMEIGY-UHFFFAOYSA-N
MW490.69 g/mol
LogP11.69
Rot. Bonds

About ethane;fluoranthene;triphenylene

ethane;fluoranthene;triphenylene (PubChem CID 160720447) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is ethane;fluoranthene;triphenylene.

Molecular Properties

Compound Nameethane;fluoranthene;triphenylene
PubChem CID160720447
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Nameethane;fluoranthene;triphenylene
SMILESCC.CC.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C16H10.2C2H6/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;2*1-2/h1-12H;1-10H;2*1-2H3
InChIKeyRTANKEDAFMEIGY-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 511.69
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

fluoranthene
CID 139203734
benzo[k]fluoranthene;ethane
CID 142369852
benzo[a]phenalen-7-one;ethane
CID 90765972
fluoranthene;toluene
CID 173324369
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
ethane;fluoranthene;3-methylpentane
CID 90824236
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
benzo[e]pyrene
CID 9128
1-(2-methylphenyl)picene
CID 173138076
decacyclo[22.9.2.17,11.02,20.04,18.06,16.021,34.025,30.031,35.015,36]hexatriaconta-1(34),2,4,6(16),7,9,11(36),12,14,17,19,21,23,25,27,29,31(35),32-octadecaene
CID 150178057

Frequently Asked Questions

What is the IUPAC name of ethane;fluoranthene;triphenylene?
The IUPAC name of ethane;fluoranthene;triphenylene (CID 160720447) is ethane;fluoranthene;triphenylene.
What is the SMILES notation for ethane;fluoranthene;triphenylene?
The canonical SMILES for ethane;fluoranthene;triphenylene is CC.CC.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of ethane;fluoranthene;triphenylene?
The InChIKey is RTANKEDAFMEIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C16H10.2C2H6/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;2*1-2/h1-12H;1-10H;2*1-2H3.
What are the key properties of ethane;fluoranthene;triphenylene?
ethane;fluoranthene;triphenylene has a molecular weight of 490.69 g/mol, XLogP of 11.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoranthene;triphenylene is sourced from PubChem (CID 160720447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).