3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene

C44H28 — CID 140776296

IUPAC3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3cc3c(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C44H28/c1-2-12-31(13-3-1)44-40-17-9-7-15-34(40)26-42-41(36-22-23-39-35(25-36)21-19-30-11-6-8-16-38(30)39)27-37(28-43(42)44)33-20-18-29-10-4-5-14-32(29)24-33/h1-28H
InChIKeyRKFRHLUMKVXOSN-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene

3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene (PubChem CID 140776296) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene
PubChem CID140776296
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3cc3c(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C44H28/c1-2-12-31(13-3-1)44-40-17-9-7-15-34(40)26-42-41(36-22-23-39-35(25-36)21-19-30-11-6-8-16-38(30)39)27-37(28-43(42)44)33-20-18-29-10-4-5-14-32(29)24-33/h1-28H
InChIKeyRKFRHLUMKVXOSN-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-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;10-(3,5-diphenylphenyl)-2,9-dinaphthalen-1-ylanthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene
CID 167589302
7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
CID 59412706
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(4-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(5-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(7-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(8-phenylnaphthalen-2-yl)phenyl]anthracene
CID 160679060
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-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
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
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene?
The IUPAC name of 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene (CID 140776296) is 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene.
What is the SMILES notation for 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene?
The canonical SMILES for 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene is c1ccc(-c2c3ccccc3cc3c(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene?
The InChIKey is RKFRHLUMKVXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-12-31(13-3-1)44-40-17-9-7-15-34(40)26-42-41(36-22-23-39-35(25-36)21-19-30-11-6-8-16-38(30)39)27-37(28-43(42)44)33-20-18-29-10-4-5-14-32(29)24-33/h1-28H.
What are the key properties of 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene?
3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene 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 3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene is sourced from PubChem (CID 140776296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).