9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene

C68H42 — CID 143896847

IUPAC9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3c(-c4ccc5c(ccc6ccccc65)c4)c4cc(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)ccc4cc3c2)cc(-c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C68H42/c1-4-16-60-43(9-1)19-23-54-37-50(27-31-63(54)60)46-12-7-14-48(35-46)52-29-34-66-59(39-52)41-57-26-22-53(42-67(57)68(66)58-30-33-65-56(40-58)25-21-45-11-3-6-18-62(45)65)49-15-8-13-47(36-49)51-28-32-64-55(38-51)24-20-44-10-2-5-17-61(44)64/h1-42H
InChIKeyFHKSDTHTLDPLOA-UHFFFAOYSA-N
MW859.08 g/mol
LogP19.25
Rot. Bonds5

About 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene

9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene (PubChem CID 143896847) has the molecular formula C68H42 and a molecular weight of 859.08 g/mol. Its IUPAC name is 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
PubChem CID143896847
Molecular FormulaC68H42
Molecular Weight859.08 g/mol
Exact Mass858.33
IUPAC Name9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3c(-c4ccc5c(ccc6ccccc65)c4)c4cc(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)ccc4cc3c2)cc(-c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C68H42/c1-4-16-60-43(9-1)19-23-54-37-50(27-31-63(54)60)46-12-7-14-48(35-46)52-29-34-66-59(39-52)41-57-26-22-53(42-67(57)68(66)58-30-33-65-56(40-58)25-21-45-11-3-6-18-62(45)65)49-15-8-13-47(36-49)51-28-32-64-55(38-51)24-20-44-10-2-5-17-61(44)64/h1-42H
InChIKeyFHKSDTHTLDPLOA-UHFFFAOYSA-N
XLogP19.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.08
LogP ≤ 519.25
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

2,6,9-tris(3-phenylphenyl)anthracene
CID 143896794
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
CID 143896786
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene?
The IUPAC name of 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene (CID 143896847) is 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene.
What is the SMILES notation for 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene?
The canonical SMILES for 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene is c1cc(-c2ccc3c(-c4ccc5c(ccc6ccccc65)c4)c4cc(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)ccc4cc3c2)cc(-c2ccc3c(ccc4ccccc43)c2)c1.
What is the InChIKey of 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene?
The InChIKey is FHKSDTHTLDPLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42/c1-4-16-60-43(9-1)19-23-54-37-50(27-31-63(54)60)46-12-7-14-48(35-46)52-29-34-66-59(39-52)41-57-26-22-53(42-67(57)68(66)58-30-33-65-56(40-58)25-21-45-11-3-6-18-62(45)65)49-15-8-13-47(36-49)51-28-32-64-55(38-51)24-20-44-10-2-5-17-61(44)64/h1-42H.
What are the key properties of 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene?
9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene has a molecular weight of 859.08 g/mol, XLogP of 19.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene is sourced from PubChem (CID 143896847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).