9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene

C54H34 — CID 58876135

IUPAC9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C54H34/c1-2-16-36(17-3-1)51-43-20-6-8-22-45(43)52(46-23-9-7-21-44(46)51)39-31-29-38-34-40(32-30-37(38)33-39)53-47-24-10-12-26-49(47)54(50-27-13-11-25-48(50)53)42-28-14-18-35-15-4-5-19-41(35)42/h1-34H
InChIKeyYIAJQYHIFGJETA-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene

9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene (PubChem CID 58876135) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
PubChem CID58876135
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C54H34/c1-2-16-36(17-3-1)51-43-20-6-8-22-45(43)52(46-23-9-7-21-44(46)51)39-31-29-38-34-40(32-30-37(38)33-39)53-47-24-10-12-26-49(47)54(50-27-13-11-25-48(50)53)42-28-14-18-35-15-4-5-19-41(35)42/h1-34H
InChIKeyYIAJQYHIFGJETA-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'}

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Related Compounds

9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590178

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene (CID 58876135) is 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene?
The InChIKey is YIAJQYHIFGJETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-16-36(17-3-1)51-43-20-6-8-22-45(43)52(46-23-9-7-21-44(46)51)39-31-29-38-34-40(32-30-37(38)33-39)53-47-24-10-12-26-49(47)54(50-27-13-11-25-48(50)53)42-28-14-18-35-15-4-5-19-41(35)42/h1-34H.
What are the key properties of 9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene?
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-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-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 58876135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).