3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene

C52H34 — CID 143739682

IUPAC3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene
SMILESc1ccc(C2=C3c4cccc5c(-c6ccc7cc(-c8cccc9ccccc89)ccc7c6)ccc(c45)C3C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C52H34/c1-3-14-34(15-4-1)48-44-20-9-10-21-45(44)49(35-16-5-2-6-17-35)52-47-30-29-42(43-23-12-24-46(50(43)47)51(48)52)39-28-26-36-31-38(27-25-37(36)32-39)41-22-11-18-33-13-7-8-19-40(33)41/h1-32,49,52H
InChIKeyOBPFOUAYLYRHAY-UHFFFAOYSA-N
MW658.84 g/mol
LogP13.68
Rot. Bonds4

About 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene

3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene (PubChem CID 143739682) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene.

Molecular Properties

Compound Name3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene
PubChem CID143739682
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene
SMILESc1ccc(C2=C3c4cccc5c(-c6ccc7cc(-c8cccc9ccccc89)ccc7c6)ccc(c45)C3C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C52H34/c1-3-14-34(15-4-1)48-44-20-9-10-21-45(44)49(35-16-5-2-6-17-35)52-47-30-29-42(43-23-12-24-46(50(43)47)51(48)52)39-28-26-36-31-38(27-25-37(36)32-39)41-22-11-18-33-13-7-8-19-40(33)41/h1-32,49,52H
InChIKeyOBPFOUAYLYRHAY-UHFFFAOYSA-N
XLogP13.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-naphthalen-1-ylanthracene
CID 2748705
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 59399024
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674

Frequently Asked Questions

What is the IUPAC name of 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene?
The IUPAC name of 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene (CID 143739682) is 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene.
What is the SMILES notation for 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene?
The canonical SMILES for 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene is c1ccc(C2=C3c4cccc5c(-c6ccc7cc(-c8cccc9ccccc89)ccc7c6)ccc(c45)C3C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene?
The InChIKey is OBPFOUAYLYRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-14-34(15-4-1)48-44-20-9-10-21-45(44)49(35-16-5-2-6-17-35)52-47-30-29-42(43-23-12-24-46(50(43)47)51(48)52)39-28-26-36-31-38(27-25-37(36)32-39)41-22-11-18-33-13-7-8-19-40(33)41/h1-32,49,52H.
What are the key properties of 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene?
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene has a molecular weight of 658.84 g/mol, XLogP of 13.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene is sourced from PubChem (CID 143739682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).