3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene

C42H26 — CID 59524105

IUPAC3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
SMILESc1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C42H26/c1-2-8-28-23-31(16-15-27(28)7-1)33-20-19-32-24-30(17-18-34(32)25-33)29-9-5-10-35(26-29)36-21-22-41-38-12-4-3-11-37(38)40-14-6-13-39(36)42(40)41/h1-26H
InChIKeyVVQRKFVQCZWGNL-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.79
Rot. Bonds3

About 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene

3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene (PubChem CID 59524105) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene.

Molecular Properties

Compound Name3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
PubChem CID59524105
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
SMILESc1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C42H26/c1-2-8-28-23-31(16-15-27(28)7-1)33-20-19-32-24-30(17-18-34(32)25-33)29-9-5-10-35(26-29)36-21-22-41-38-12-4-3-11-37(38)40-14-6-13-39(36)42(40)41/h1-26H
InChIKeyVVQRKFVQCZWGNL-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.79
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-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
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
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene?
The IUPAC name of 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene (CID 59524105) is 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene.
What is the SMILES notation for 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene?
The canonical SMILES for 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene is c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene?
The InChIKey is VVQRKFVQCZWGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-8-28-23-31(16-15-27(28)7-1)33-20-19-32-24-30(17-18-34(32)25-33)29-9-5-10-35(26-29)36-21-22-41-38-12-4-3-11-37(38)40-14-6-13-39(36)42(40)41/h1-26H.
What are the key properties of 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene?
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene has a molecular weight of 530.67 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene is sourced from PubChem (CID 59524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).