2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene

C54H34 — CID 58322783

IUPAC2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
SMILESc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4cccc5ccccc45)cc23)c1
InChIInChI=1S/C54H34/c1-4-20-39-35(15-1)18-13-29-41(39)38-31-32-50-52(34-38)54(49-28-12-11-27-48(49)53(50)46-30-14-19-36-16-2-5-21-40(36)46)47-26-10-9-25-45(47)51-33-37-17-3-6-22-42(37)43-23-7-8-24-44(43)51/h1-34H
InChIKeyXEZRXAYIQJEIRJ-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene

2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene (PubChem CID 58322783) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

Compound Name2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
PubChem CID58322783
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
SMILESc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4cccc5ccccc45)cc23)c1
InChIInChI=1S/C54H34/c1-4-20-39-35(15-1)18-13-29-41(39)38-31-32-50-52(34-38)54(49-28-12-11-27-48(49)53(50)46-30-14-19-36-16-2-5-21-40(36)46)47-26-10-9-25-45(47)51-33-37-17-3-6-22-42(37)43-23-7-8-24-44(43)51/h1-34H
InChIKeyXEZRXAYIQJEIRJ-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-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)triphenylene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene
CID 159987289
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843

Frequently Asked Questions

What is the IUPAC name of 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene?
The IUPAC name of 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene (CID 58322783) is 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene.
What is the SMILES notation for 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene?
The canonical SMILES for 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene is c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4cccc5ccccc45)cc23)c1.
What is the InChIKey of 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene?
The InChIKey is XEZRXAYIQJEIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-4-20-39-35(15-1)18-13-29-41(39)38-31-32-50-52(34-38)54(49-28-12-11-27-48(49)53(50)46-30-14-19-36-16-2-5-21-40(36)46)47-26-10-9-25-45(47)51-33-37-17-3-6-22-42(37)43-23-7-8-24-44(43)51/h1-34H.
What are the key properties of 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene?
2,10-dinaphthalen-1-yl-9-(2-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 2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 58322783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).