9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene

C44H28 — CID 58194402

IUPAC9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc7ccccc7c56)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C44H28/c1-2-12-34-28-35(27-22-29(34)10-1)30-20-24-33(25-21-30)43-37-15-5-7-17-39(37)44(40-18-8-6-16-38(40)43)41-19-9-13-32-26-23-31-11-3-4-14-36(31)42(32)41/h1-28H
InChIKeyNXZAUODCWCHPHB-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene

9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene (PubChem CID 58194402) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene.

Molecular Properties

Compound Name9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
PubChem CID58194402
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc7ccccc7c56)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C44H28/c1-2-12-34-28-35(27-22-29(34)10-1)30-20-24-33(25-21-30)43-37-15-5-7-17-39(37)44(40-18-8-6-16-38(40)43)41-19-9-13-32-26-23-31-11-3-4-14-36(31)42(32)41/h1-28H
InChIKeyNXZAUODCWCHPHB-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene?
The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene (CID 58194402) is 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene.
What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene?
The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc7ccccc7c56)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene?
The InChIKey is NXZAUODCWCHPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-12-34-28-35(27-22-29(34)10-1)30-20-24-33(25-21-30)43-37-15-5-7-17-39(37)44(40-18-8-6-16-38(40)43)41-19-9-13-32-26-23-31-11-3-4-14-36(31)42(32)41/h1-28H.
What are the key properties of 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene?
9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene is sourced from PubChem (CID 58194402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).