2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene

C52H32 — CID 59583053

IUPAC2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
SMILESc1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/C52H32/c1-2-14-37-35(13-1)31-49(42-19-7-3-15-38(37)42)33-25-27-34(28-26-33)51-45-21-9-11-23-47(45)52(48-24-12-10-22-46(48)51)36-29-30-44-41-18-5-4-16-39(41)40-17-6-8-20-43(40)50(44)32-36/h1-32H
InChIKeyARHTYTUOQVHFHP-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene

2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene (PubChem CID 59583053) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
PubChem CID59583053
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
SMILESc1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/C52H32/c1-2-14-37-35(13-1)31-49(42-19-7-3-15-38(37)42)33-25-27-34(28-26-33)51-45-21-9-11-23-47(45)52(48-24-12-10-22-46(48)51)36-29-30-44-41-18-5-4-16-39(41)40-17-6-8-20-43(40)50(44)32-36/h1-32H
InChIKeyARHTYTUOQVHFHP-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
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-phenanthren-9-ylphenyl)anthracene
CID 59793080
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene (CID 59583053) is 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene is c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc1)c1ccccc12.
What is the InChIKey of 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene?
The InChIKey is ARHTYTUOQVHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-2-14-37-35(13-1)31-49(42-19-7-3-15-38(37)42)33-25-27-34(28-26-33)51-45-21-9-11-23-47(45)52(48-24-12-10-22-46(48)51)36-29-30-44-41-18-5-4-16-39(41)40-17-6-8-20-43(40)50(44)32-36/h1-32H.
What are the key properties of 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene?
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene is sourced from PubChem (CID 59583053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).