3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene

C48H30 — CID 140717774

IUPAC3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc-3c24)cc1
InChIInChI=1S/C48H30/c1-3-13-34(14-4-1)44-40-18-9-10-19-41(40)45(35-15-5-2-6-16-35)48-43-29-28-38(39-20-11-21-42(46(39)43)47(44)48)33-25-22-32(23-26-33)37-27-24-31-12-7-8-17-36(31)30-37/h1-30H
InChIKeyNADWXGUBQIOODB-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.46
Rot. Bonds4

About 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene

3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 140717774) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID140717774
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc-3c24)cc1
InChIInChI=1S/C48H30/c1-3-13-34(14-4-1)44-40-18-9-10-19-41(40)45(35-15-5-2-6-16-35)48-43-29-28-38(39-20-11-21-42(46(39)43)47(44)48)33-25-22-32(23-26-33)37-27-24-31-12-7-8-17-36(31)30-37/h1-30H
InChIKeyNADWXGUBQIOODB-UHFFFAOYSA-N
XLogP13.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 162198422
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
3-[6-[4-(fluoromethyl)phenyl]naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 118579663
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene (CID 140717774) is 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc-3c24)cc1.
What is the InChIKey of 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is NADWXGUBQIOODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-13-34(14-4-1)44-40-18-9-10-19-41(40)45(35-15-5-2-6-16-35)48-43-29-28-38(39-20-11-21-42(46(39)43)47(44)48)33-25-22-32(23-26-33)37-27-24-31-12-7-8-17-36(31)30-37/h1-30H.
What are the key properties of 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene?
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 606.77 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 140717774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).