6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline

C45H27N — CID 121287572

IUPAC6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cnc3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)cc3c2)c1
InChIInChI=1S/C45H27N/c1-2-8-29-21-34(16-15-28(29)7-1)30-11-5-12-31(22-30)37-24-36-23-35(17-20-44(36)46-27-37)38-18-19-41-43-26-33-10-4-3-9-32(33)25-42(43)40-14-6-13-39(38)45(40)41/h1-27H
InChIKeyLAOLQNRPBBGCAU-UHFFFAOYSA-N
MW581.72 g/mol
LogP12.34
Rot. Bonds3

About 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline

6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline (PubChem CID 121287572) has the molecular formula C45H27N and a molecular weight of 581.72 g/mol. Its IUPAC name is 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline.

Molecular Properties

Compound Name6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
PubChem CID121287572
Molecular FormulaC45H27N
Molecular Weight581.72 g/mol
Exact Mass581.21
IUPAC Name6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cnc3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)cc3c2)c1
InChIInChI=1S/C45H27N/c1-2-8-29-21-34(16-15-28(29)7-1)30-11-5-12-31(22-30)37-24-36-23-35(17-20-44(36)46-27-37)38-18-19-41-43-26-33-10-4-3-9-32(33)25-42(43)40-14-6-13-39(38)45(40)41/h1-27H
InChIKeyLAOLQNRPBBGCAU-UHFFFAOYSA-N
XLogP12.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine
CID 121287573
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
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582

Frequently Asked Questions

What is the IUPAC name of 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline?
The IUPAC name of 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline (CID 121287572) is 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline.
What is the SMILES notation for 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline?
The canonical SMILES for 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline is c1cc(-c2ccc3ccccc3c2)cc(-c2cnc3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)cc3c2)c1.
What is the InChIKey of 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline?
The InChIKey is LAOLQNRPBBGCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N/c1-2-8-29-21-34(16-15-28(29)7-1)30-11-5-12-31(22-30)37-24-36-23-35(17-20-44(36)46-27-37)38-18-19-41-43-26-33-10-4-3-9-32(33)25-42(43)40-14-6-13-39(38)45(40)41/h1-27H.
What are the key properties of 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline?
6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline has a molecular weight of 581.72 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline is sourced from PubChem (CID 121287572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).