9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene

C54H34 — CID 143913988

IUPAC9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
SMILESc1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c34)ccc2c1
InChIInChI=1S/C54H34/c1-4-16-39-32-42(27-24-35(39)12-1)46-30-31-47(43-28-25-36-13-2-5-17-40(36)33-43)54-52(48-23-11-19-38-15-7-8-20-45(38)48)50-22-10-9-21-49(50)51(53(46)54)44-29-26-37-14-3-6-18-41(37)34-44/h1-34H
InChIKeyINLLHZQBNFQBFK-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene

9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene (PubChem CID 143913988) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
PubChem CID143913988
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
SMILESc1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c34)ccc2c1
InChIInChI=1S/C54H34/c1-4-16-39-32-42(27-24-35(39)12-1)46-30-31-47(43-28-25-36-13-2-5-17-40(36)33-43)54-52(48-23-11-19-38-15-7-8-20-45(38)48)50-22-10-9-21-49(50)51(53(46)54)44-29-26-37-14-3-6-18-41(37)34-44/h1-34H
InChIKeyINLLHZQBNFQBFK-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

1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
CID 160935690
10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 58323114
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-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 155767823
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene?
The IUPAC name of 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene (CID 143913988) is 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene.
What is the SMILES notation for 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene?
The canonical SMILES for 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene is c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c34)ccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene?
The InChIKey is INLLHZQBNFQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-4-16-39-32-42(27-24-35(39)12-1)46-30-31-47(43-28-25-36-13-2-5-17-40(36)33-43)54-52(48-23-11-19-38-15-7-8-20-45(38)48)50-22-10-9-21-49(50)51(53(46)54)44-29-26-37-14-3-6-18-41(37)34-44/h1-34H.
What are the key properties of 9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene?
9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene 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-1,4,10-trinaphthalen-2-ylanthracene is sourced from PubChem (CID 143913988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).