2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene

C47H32 — CID 167635301

IUPAC2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene
SMILESCCC1=Cc2ccccc2C1c1c2ccccc2c(-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)c2ccccc12
InChIInChI=1S/C47H32/c1-2-29-25-31-13-3-4-17-35(31)46(29)47-41-22-9-7-20-39(41)44(40-21-8-10-23-42(40)47)32-15-11-14-30(26-32)34-27-33-16-12-24-38-36-18-5-6-19-37(36)43(28-34)45(33)38/h3-28,46H,2H2,1H3
InChIKeyAFWCDCBRTLTAJX-UHFFFAOYSA-N
MW596.77 g/mol
LogP13.07
Rot. Bonds4

About 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene

2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene (PubChem CID 167635301) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene.

Molecular Properties

Compound Name2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene
PubChem CID167635301
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene
SMILESCCC1=Cc2ccccc2C1c1c2ccccc2c(-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)c2ccccc12
InChIInChI=1S/C47H32/c1-2-29-25-31-13-3-4-17-35(31)46(29)47-41-22-9-7-20-39(41)44(40-21-8-10-23-42(40)47)32-15-11-14-30(26-32)34-27-33-16-12-24-38-36-18-5-6-19-37(36)43(28-34)45(33)38/h3-28,46H,2H2,1H3
InChIKeyAFWCDCBRTLTAJX-UHFFFAOYSA-N
XLogP13.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 513.07
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-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene
CID 167660358
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
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
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-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590178
9-(9H-fluoren-9-yl)-10-naphthalen-2-ylanthracene
CID 102199153
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
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene?
The IUPAC name of 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene (CID 167635301) is 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene.
What is the SMILES notation for 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene?
The canonical SMILES for 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene is CCC1=Cc2ccccc2C1c1c2ccccc2c(-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)c2ccccc12.
What is the InChIKey of 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene?
The InChIKey is AFWCDCBRTLTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-2-29-25-31-13-3-4-17-35(31)46(29)47-41-22-9-7-20-39(41)44(40-21-8-10-23-42(40)47)32-15-11-14-30(26-32)34-27-33-16-12-24-38-36-18-5-6-19-37(36)43(28-34)45(33)38/h3-28,46H,2H2,1H3.
What are the key properties of 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene?
2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene has a molecular weight of 596.77 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene is sourced from PubChem (CID 167635301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).