9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene

C34H22 — CID 86701353

IUPAC9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
SMILESc1ccc2cc(-c3ccc4ccc(-c5c6ccccc6cc6ccccc56)cc4c3)ccc2c1
InChIInChI=1S/C34H22/c1-2-8-25-19-26(16-13-23(25)7-1)27-17-14-24-15-18-30(22-31(24)20-27)34-32-11-5-3-9-28(32)21-29-10-4-6-12-33(29)34/h1-22H
InChIKeyMFIRNBQNQDLRGK-UHFFFAOYSA-N
MW430.55 g/mol
LogP9.63
Rot. Bonds2

About 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene

9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene (PubChem CID 86701353) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
PubChem CID86701353
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
SMILESc1ccc2cc(-c3ccc4ccc(-c5c6ccccc6cc6ccccc56)cc4c3)ccc2c1
InChIInChI=1S/C34H22/c1-2-8-25-19-26(16-13-23(25)7-1)27-17-14-24-15-18-30(22-31(24)20-27)34-32-11-5-3-9-28(32)21-29-10-4-6-12-33(29)34/h1-22H
InChIKeyMFIRNBQNQDLRGK-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene (CID 86701353) is 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene is c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6cc6ccccc56)cc4c3)ccc2c1.
What is the InChIKey of 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?
The InChIKey is MFIRNBQNQDLRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-2-8-25-19-26(16-13-23(25)7-1)27-17-14-24-15-18-30(22-31(24)20-27)34-32-11-5-3-9-28(32)21-29-10-4-6-12-33(29)34/h1-22H.
What are the key properties of 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene has a molecular weight of 430.55 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 86701353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).