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

C54H34 — CID 58322677

IUPAC2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
SMILESc1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4cccc5ccccc45)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-15-37-31-42(28-27-35(37)13-1)54-49-25-10-9-24-48(49)53(50-30-29-40(34-52(50)54)44-26-12-17-36-14-3-5-20-43(36)44)41-19-11-18-38(32-41)51-33-39-16-4-6-21-45(39)46-22-7-8-23-47(46)51/h1-34H
InChIKeyRHZHAJCGDIZQIY-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

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

2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene (PubChem CID 58322677) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
PubChem CID58322677
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
SMILESc1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4cccc5ccccc45)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-15-37-31-42(28-27-35(37)13-1)54-49-25-10-9-24-48(49)53(50-30-29-40(34-52(50)54)44-26-12-17-36-14-3-5-20-43(36)44)41-19-11-18-38(32-41)51-33-39-16-4-6-21-45(39)46-22-7-8-23-47(46)51/h1-34H
InChIKeyRHZHAJCGDIZQIY-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-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
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-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene
CID 158522790
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
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene?
The IUPAC name of 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene (CID 58322677) is 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene is c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4cccc5ccccc45)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene?
The InChIKey is RHZHAJCGDIZQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-15-37-31-42(28-27-35(37)13-1)54-49-25-10-9-24-48(49)53(50-30-29-40(34-52(50)54)44-26-12-17-36-14-3-5-20-43(36)44)41-19-11-18-38(32-41)51-33-39-16-4-6-21-45(39)46-22-7-8-23-47(46)51/h1-34H.
What are the key properties of 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene?
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)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 2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 58322677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).