9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene

C54H34 — CID 58194379

IUPAC9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5ccc5ccccc56)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-3-17-43-35(12-1)14-10-23-45(43)39-15-9-16-41(34-39)53-49-19-5-7-21-51(49)54(52-22-8-6-20-50(52)53)42-29-27-37-32-40(28-26-38(37)33-42)46-24-11-25-47-44-18-4-2-13-36(44)30-31-48(46)47/h1-34H
InChIKeyKTLXVWDSWGTFFP-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene

9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene (PubChem CID 58194379) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
PubChem CID58194379
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5ccc5ccccc56)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-3-17-43-35(12-1)14-10-23-45(43)39-15-9-16-41(34-39)53-49-19-5-7-21-51(49)54(52-22-8-6-20-50(52)53)42-29-27-37-32-40(28-26-38(37)33-42)46-24-11-25-47-44-18-4-2-13-36(44)30-31-48(46)47/h1-34H
InChIKeyKTLXVWDSWGTFFP-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
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-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene (CID 58194379) is 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5ccc5ccccc56)ccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene?
The InChIKey is KTLXVWDSWGTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-3-17-43-35(12-1)14-10-23-45(43)39-15-9-16-41(34-39)53-49-19-5-7-21-51(49)54(52-22-8-6-20-50(52)53)42-29-27-37-32-40(28-26-38(37)33-42)46-24-11-25-47-44-18-4-2-13-36(44)30-31-48(46)47/h1-34H.
What are the key properties of 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene?
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 58194379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).