9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene

C66H40 — CID 59858844

IUPAC9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
SMILESc1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)c3ccccc13)c1ccccc12
InChIInChI=1S/C66H40/c1-3-21-43-41(19-1)39-61(49-27-9-5-23-45(43)49)65-55-33-15-11-29-51(55)63(52-30-12-16-34-56(52)65)59-37-38-60(48-26-8-7-25-47(48)59)64-53-31-13-17-35-57(53)66(58-36-18-14-32-54(58)64)62-40-42-20-2-4-22-44(42)46-24-6-10-28-50(46)62/h1-40H
InChIKeyWLELUZQLTWBTIS-UHFFFAOYSA-N
MW833.05 g/mol
LogP18.73
Rot. Bonds4

About 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene

9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene (PubChem CID 59858844) has the molecular formula C66H40 and a molecular weight of 833.05 g/mol. Its IUPAC name is 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
PubChem CID59858844
Molecular FormulaC66H40
Molecular Weight833.05 g/mol
Exact Mass832.31
IUPAC Name9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
SMILESc1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)c3ccccc13)c1ccccc12
InChIInChI=1S/C66H40/c1-3-21-43-41(19-1)39-61(49-27-9-5-23-45(43)49)65-55-33-15-11-29-51(55)63(52-30-12-16-34-56(52)65)59-37-38-60(48-26-8-7-25-47(48)59)64-53-31-13-17-35-57(53)66(58-36-18-14-32-54(58)64)62-40-42-20-2-4-22-44(42)46-24-6-10-28-50(46)62/h1-40H
InChIKeyWLELUZQLTWBTIS-UHFFFAOYSA-N
XLogP18.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.05
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
6-[10-(10-benzo[a]anthracen-6-ylanthracen-9-yl)anthracen-9-yl]benzo[a]anthracene
CID 59412752
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
CID 123404005
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene?
The IUPAC name of 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene (CID 59858844) is 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene is c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)c3ccccc13)c1ccccc12.
What is the InChIKey of 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene?
The InChIKey is WLELUZQLTWBTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40/c1-3-21-43-41(19-1)39-61(49-27-9-5-23-45(43)49)65-55-33-15-11-29-51(55)63(52-30-12-16-34-56(52)65)59-37-38-60(48-26-8-7-25-47(48)59)64-53-31-13-17-35-57(53)66(58-36-18-14-32-54(58)64)62-40-42-20-2-4-22-44(42)46-24-6-10-28-50(46)62/h1-40H.
What are the key properties of 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene?
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene has a molecular weight of 833.05 g/mol, XLogP of 18.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 59858844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).