7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene

C44H28 — CID 59390470

IUPAC7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
SMILESc1ccc(-c2cc3cc(-c4cc5ccccc5c5ccccc45)ccc3c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C44H28/c1-2-11-30(12-3-1)42-28-36-25-35(43-27-34-14-6-7-15-37(34)39-16-8-9-17-40(39)43)21-22-38(36)41-23-20-33(26-44(41)42)32-19-18-29-10-4-5-13-31(29)24-32/h1-28H
InChIKeyQYHKTQAHOBBKLX-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene

7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene (PubChem CID 59390470) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene.

Molecular Properties

Compound Name7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
PubChem CID59390470
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
SMILESc1ccc(-c2cc3cc(-c4cc5ccccc5c5ccccc45)ccc3c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C44H28/c1-2-11-30(12-3-1)42-28-36-25-35(43-27-34-14-6-7-15-37(34)39-16-8-9-17-40(39)43)21-22-38(36)41-23-20-33(26-44(41)42)32-19-18-29-10-4-5-13-31(29)24-32/h1-28H
InChIKeyQYHKTQAHOBBKLX-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_3', 'substructure': 'N/A'}

Analyze 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638827
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
CID 59629127
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
CID 59629319
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene?
The IUPAC name of 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene (CID 59390470) is 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene.
What is the SMILES notation for 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene?
The canonical SMILES for 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene is c1ccc(-c2cc3cc(-c4cc5ccccc5c5ccccc45)ccc3c3ccc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene?
The InChIKey is QYHKTQAHOBBKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-11-30(12-3-1)42-28-36-25-35(43-27-34-14-6-7-15-37(34)39-16-8-9-17-40(39)43)21-22-38(36)41-23-20-33(26-44(41)42)32-19-18-29-10-4-5-13-31(29)24-32/h1-28H.
What are the key properties of 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene?
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene 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 7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene is sourced from PubChem (CID 59390470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).