5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene

C48H34 — CID 123765532

IUPAC5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene
SMILESC1=CC2C=C3c4c(-c5ccccc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c(-c5ccccc5)c4C4=CC=CC(C34)C2C=C1
InChIInChI=1S/C48H34/c1-3-13-32(14-4-1)43-30-42(34-27-25-33(26-28-34)38-22-11-19-31-15-7-9-20-37(31)38)45(35-16-5-2-6-17-35)48-41-24-12-23-40-39-21-10-8-18-36(39)29-44(46(40)41)47(43)48/h1-30,36,39-40,46H
InChIKeyOKCBLAAYSPYFHX-UHFFFAOYSA-N
MW610.80 g/mol
LogP12.46
Rot. Bonds4

About 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene

5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene (PubChem CID 123765532) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene.

Molecular Properties

Compound Name5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene
PubChem CID123765532
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene
SMILESC1=CC2C=C3c4c(-c5ccccc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c(-c5ccccc5)c4C4=CC=CC(C34)C2C=C1
InChIInChI=1S/C48H34/c1-3-13-32(14-4-1)43-30-42(34-27-25-33(26-28-34)38-22-11-19-31-15-7-9-20-37(31)38)45(35-16-5-2-6-17-35)48-41-24-12-23-40-39-21-10-8-18-36(39)29-44(46(40)41)47(43)48/h1-30,36,39-40,46H
InChIKeyOKCBLAAYSPYFHX-UHFFFAOYSA-N
XLogP12.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene with MolForge

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Related Compounds

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CID 144568905
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine
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1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
11-[4-(2,3,4,5-tetraphenylphenyl)phenyl]benzo[a]acridine
CID 164805892
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
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9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracene
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Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene?
The IUPAC name of 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene (CID 123765532) is 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene.
What is the SMILES notation for 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene?
The canonical SMILES for 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene is C1=CC2C=C3c4c(-c5ccccc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c(-c5ccccc5)c4C4=CC=CC(C34)C2C=C1.
What is the InChIKey of 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene?
The InChIKey is OKCBLAAYSPYFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-3-13-32(14-4-1)43-30-42(34-27-25-33(26-28-34)38-22-11-19-31-15-7-9-20-37(31)38)45(35-16-5-2-6-17-35)48-41-24-12-23-40-39-21-10-8-18-36(39)29-44(46(40)41)47(43)48/h1-30,36,39-40,46H.
What are the key properties of 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene?
5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene has a molecular weight of 610.80 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene is sourced from PubChem (CID 123765532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).