2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene

C41H28 — CID 167660358

IUPAC2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene
SMILESCCC1=Cc2ccccc2C1c1c2ccccc2c(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c2ccccc12
InChIInChI=1S/C41H28/c1-2-25-22-26-12-3-4-14-29(26)40(25)41-35-19-9-7-17-33(35)39(34-18-8-10-20-36(34)41)28-23-27-13-11-21-32-30-15-5-6-16-31(30)37(24-28)38(27)32/h3-24,40H,2H2,1H3
InChIKeyAPVWIFKDOWMACG-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.40
Rot. Bonds3

About 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene

2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene (PubChem CID 167660358) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene.

Molecular Properties

Compound Name2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene
PubChem CID167660358
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene
SMILESCCC1=Cc2ccccc2C1c1c2ccccc2c(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c2ccccc12
InChIInChI=1S/C41H28/c1-2-25-22-26-12-3-4-14-29(26)40(25)41-35-19-9-7-17-33(35)39(34-18-8-10-20-36(34)41)28-23-27-13-11-21-32-30-15-5-6-16-31(30)37(24-28)38(27)32/h3-24,40H,2H2,1H3
InChIKeyAPVWIFKDOWMACG-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene
CID 167635301
2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712194
2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712192
9-(9H-fluoren-9-yl)-10-naphthalen-2-ylanthracene
CID 102199153
18-[10-[4-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 157278594
9-(2,4-diphenylphenyl)-10-(2-methyl-1-phenyl-1H-inden-5-yl)anthracene;9-(2-ethyl-1-phenyl-1H-inden-5-yl)-10-(4-phenylphenyl)anthracene;9-(2-methyl-1-phenyl-1H-inden-5-yl)-10-naphthalen-1-ylanthracene;9-(2-methyl-1-phenyl-1H-inden-5-yl)-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(1-phenyl-2-propan-2-yl-1H-inden-5-yl)anthracene;9-naphthalen-2-yl-10-(1-phenyl-2-propyl-1H-inden-5-yl)anthracene
CID 167535078
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
CID 123993670
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene?
The IUPAC name of 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene (CID 167660358) is 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene.
What is the SMILES notation for 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene?
The canonical SMILES for 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene is CCC1=Cc2ccccc2C1c1c2ccccc2c(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c2ccccc12.
What is the InChIKey of 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene?
The InChIKey is APVWIFKDOWMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-2-25-22-26-12-3-4-14-29(26)40(25)41-35-19-9-7-17-33(35)39(34-18-8-10-20-36(34)41)28-23-27-13-11-21-32-30-15-5-6-16-31(30)37(24-28)38(27)32/h3-24,40H,2H2,1H3.
What are the key properties of 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene?
2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene has a molecular weight of 520.68 g/mol, XLogP of 11.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene is sourced from PubChem (CID 167660358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).