3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene

C54H32 — CID 59805099

IUPAC3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
SMILESc1ccc2cc3c(ccc4cc5cc(-c6ccc7ccc(-c8ccc9cc%10c(ccc%11cc%12ccccc%12cc%11%10)cc9c8)cc7c6)ccc5cc43)cc2c1
InChIInChI=1S/C54H32/c1-3-7-36-29-51-44(21-34(36)5-1)17-19-46-27-49-25-40(13-15-42(49)31-53(46)51)38-11-9-33-10-12-39(24-48(33)23-38)41-14-16-43-32-54-47(28-50(43)26-41)20-18-45-22-35-6-2-4-8-37(35)30-52(45)54/h1-32H
InChIKeyFCHPOVCZRKQFTJ-UHFFFAOYSA-N
MW680.85 g/mol
LogP15.40
Rot. Bonds2

About 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene

3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene (PubChem CID 59805099) has the molecular formula C54H32 and a molecular weight of 680.85 g/mol. Its IUPAC name is 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene.

Molecular Properties

Compound Name3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
PubChem CID59805099
Molecular FormulaC54H32
Molecular Weight680.85 g/mol
Exact Mass680.25
IUPAC Name3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
SMILESc1ccc2cc3c(ccc4cc5cc(-c6ccc7ccc(-c8ccc9cc%10c(ccc%11cc%12ccccc%12cc%11%10)cc9c8)cc7c6)ccc5cc43)cc2c1
InChIInChI=1S/C54H32/c1-3-7-36-29-51-44(21-34(36)5-1)17-19-46-27-49-25-40(13-15-42(49)31-53(46)51)38-11-9-33-10-12-39(24-48(33)23-38)41-14-16-43-32-54-47(28-50(43)26-41)20-18-45-22-35-6-2-4-8-37(35)30-52(45)54/h1-32H
InChIKeyFCHPOVCZRKQFTJ-UHFFFAOYSA-N
XLogP15.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 515.40
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

9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
3-phenylbenzo[a]anthracene
CID 59412661
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
2-naphthalen-2-ylphenanthrene
CID 90738367
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene
CID 173317779
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59399010
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene?
The IUPAC name of 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene (CID 59805099) is 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene.
What is the SMILES notation for 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene?
The canonical SMILES for 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene is c1ccc2cc3c(ccc4cc5cc(-c6ccc7ccc(-c8ccc9cc%10c(ccc%11cc%12ccccc%12cc%11%10)cc9c8)cc7c6)ccc5cc43)cc2c1.
What is the InChIKey of 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene?
The InChIKey is FCHPOVCZRKQFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32/c1-3-7-36-29-51-44(21-34(36)5-1)17-19-46-27-49-25-40(13-15-42(49)31-53(46)51)38-11-9-33-10-12-39(24-48(33)23-38)41-14-16-43-32-54-47(28-50(43)26-41)20-18-45-22-35-6-2-4-8-37(35)30-52(45)54/h1-32H.
What are the key properties of 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene?
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene has a molecular weight of 680.85 g/mol, XLogP of 15.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene is sourced from PubChem (CID 59805099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).