9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene

C55H40 — CID 140575759

IUPAC9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene
SMILESC1=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=CCCc6ccccc65)cc4)c4cc(C5=CCc6ccccc65)ccc34)cc2)CCc2ccccc21
InChIInChI=1S/C55H40/c1-2-13-43-34-44(29-22-36(43)10-1)37-20-25-41(26-21-37)54-50-17-7-8-18-51(50)55(42-27-23-40(24-28-42)48-19-9-14-38-11-3-5-15-46(38)48)53-35-45(31-33-52(53)54)49-32-30-39-12-4-6-16-47(39)49/h1-8,10-13,15-21,23-28,31-35H,9,14,22,29-30H2
InChIKeyRYENQOZLGMYECD-UHFFFAOYSA-N
MW700.93 g/mol
LogP14.18
Rot. Bonds5

About 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene

9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene (PubChem CID 140575759) has the molecular formula C55H40 and a molecular weight of 700.93 g/mol. Its IUPAC name is 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene.

Molecular Properties

Compound Name9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene
PubChem CID140575759
Molecular FormulaC55H40
Molecular Weight700.93 g/mol
Exact Mass700.31
IUPAC Name9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene
SMILESC1=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=CCCc6ccccc65)cc4)c4cc(C5=CCc6ccccc65)ccc34)cc2)CCc2ccccc21
InChIInChI=1S/C55H40/c1-2-13-43-34-44(29-22-36(43)10-1)37-20-25-41(26-21-37)54-50-17-7-8-18-51(50)55(42-27-23-40(24-28-42)48-19-9-14-38-11-3-5-15-46(38)48)53-35-45(31-33-52(53)54)49-32-30-39-12-4-6-16-47(39)49/h1-8,10-13,15-21,23-28,31-35H,9,14,22,29-30H2
InChIKeyRYENQOZLGMYECD-UHFFFAOYSA-N
XLogP14.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 123715814
9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 158707285
9-(cyclohexen-1-yl)-10-(3,4-dihydronaphthalen-1-yl)anthracene
CID 123681996
3-(3,4-difluorophenyl)-1H-indene
CID 90234204
9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene
CID 144809763
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 10857019
4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
CID 88547922
5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine
CID 143250615
CID 174754317
CID 174754317
2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine
CID 88554341
6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163521767
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene?
The IUPAC name of 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene (CID 140575759) is 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene.
What is the SMILES notation for 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene?
The canonical SMILES for 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene is C1=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=CCCc6ccccc65)cc4)c4cc(C5=CCc6ccccc65)ccc34)cc2)CCc2ccccc21.
What is the InChIKey of 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene?
The InChIKey is RYENQOZLGMYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40/c1-2-13-43-34-44(29-22-36(43)10-1)37-20-25-41(26-21-37)54-50-17-7-8-18-51(50)55(42-27-23-40(24-28-42)48-19-9-14-38-11-3-5-15-46(38)48)53-35-45(31-33-52(53)54)49-32-30-39-12-4-6-16-47(39)49/h1-8,10-13,15-21,23-28,31-35H,9,14,22,29-30H2.
What are the key properties of 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene?
9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene has a molecular weight of 700.93 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-10-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-2-(3H-inden-1-yl)anthracene is sourced from PubChem (CID 140575759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).