3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene

C48H30 — CID 58544667

IUPAC3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
SMILESc1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc6ccc(-c7cccc(-c8ccc9ccccc9c8)c7)cc6c5)ccc-3c24)cc1
InChIInChI=1S/C48H30/c1-2-8-31(9-3-1)39-22-23-43-46-25-24-42(44-14-7-15-45(48(44)46)47(43)30-39)40-21-18-33-17-20-38(28-41(33)29-40)36-13-6-12-35(27-36)37-19-16-32-10-4-5-11-34(32)26-37/h1-30H
InChIKeyKOSRMTCZGBKARP-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.46
Rot. Bonds4

About 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene

3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene (PubChem CID 58544667) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene.

Molecular Properties

Compound Name3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
PubChem CID58544667
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
SMILESc1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc6ccc(-c7cccc(-c8ccc9ccccc9c8)c7)cc6c5)ccc-3c24)cc1
InChIInChI=1S/C48H30/c1-2-8-31(9-3-1)39-22-23-43-46-25-24-42(44-14-7-15-45(48(44)46)47(43)30-39)40-21-18-33-17-20-38(28-41(33)29-40)36-13-6-12-35(27-36)37-19-16-32-10-4-5-11-34(32)26-37/h1-30H
InChIKeyKOSRMTCZGBKARP-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-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
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-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene?
The IUPAC name of 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene (CID 58544667) is 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene.
What is the SMILES notation for 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene?
The canonical SMILES for 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene is c1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc6ccc(-c7cccc(-c8ccc9ccccc9c8)c7)cc6c5)ccc-3c24)cc1.
What is the InChIKey of 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene?
The InChIKey is KOSRMTCZGBKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-8-31(9-3-1)39-22-23-43-46-25-24-42(44-14-7-15-45(48(44)46)47(43)30-39)40-21-18-33-17-20-38(28-41(33)29-40)36-13-6-12-35(27-36)37-19-16-32-10-4-5-11-34(32)26-37/h1-30H.
What are the key properties of 3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene?
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene 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-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene is sourced from PubChem (CID 58544667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).