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

C47H32 — CID 167712194

IUPAC2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
SMILESCCC1=Cc2ccccc2C1c1cccc(-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C47H32/c1-2-29-25-30-13-3-4-17-35(30)44(29)31-14-11-15-32(26-31)45-39-20-7-9-22-41(39)47(42-23-10-8-21-40(42)45)34-27-33-16-12-24-38-36-18-5-6-19-37(36)43(28-34)46(33)38/h3-28,44H,2H2,1H3
InChIKeyNYZMOVLNCSDNLE-UHFFFAOYSA-N
MW596.77 g/mol
LogP13.07
Rot. Bonds4

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

2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene (PubChem CID 167712194) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene.

Molecular Properties

Compound Name2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
PubChem CID167712194
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
SMILESCCC1=Cc2ccccc2C1c1cccc(-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C47H32/c1-2-29-25-30-13-3-4-17-35(30)44(29)31-14-11-15-32(26-31)45-39-20-7-9-22-41(39)47(42-23-10-8-21-40(42)45)34-27-33-16-12-24-38-36-18-5-6-19-37(36)43(28-34)46(33)38/h3-28,44H,2H2,1H3
InChIKeyNYZMOVLNCSDNLE-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-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene
CID 167635301
2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712192
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-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
CID 123993670
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
11,11-dimethyl-3-[10-(9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]benzo[b]fluorene
CID 160532440
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800

Frequently Asked Questions

What is the IUPAC name of 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
The IUPAC name of 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene (CID 167712194) is 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene.
What is the SMILES notation for 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
The canonical SMILES for 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene is CCC1=Cc2ccccc2C1c1cccc(-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c3ccccc23)c1.
What is the InChIKey of 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
The InChIKey is NYZMOVLNCSDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-2-29-25-30-13-3-4-17-35(30)44(29)31-14-11-15-32(26-31)45-39-20-7-9-22-41(39)47(42-23-10-8-21-40(42)45)34-27-33-16-12-24-38-36-18-5-6-19-37(36)43(28-34)46(33)38/h3-28,44H,2H2,1H3.
What are the key properties of 2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]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-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene is sourced from PubChem (CID 167712194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).