2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine

C40H24N2 — CID 121287573

IUPAC2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine
SMILESc1cnc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5cc7ccccc7cc5-6)c4)cccc3c2)nc1
InChIInChI=1S/C40H24N2/c1-2-8-26-24-38-36-18-17-33(34-13-5-14-35(39(34)36)37(38)23-25(26)7-1)28-10-3-9-27(21-28)31-12-4-11-29-22-30(15-16-32(29)31)40-41-19-6-20-42-40/h1-24H
InChIKeyURGVLXPOXSJWLN-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.58
Rot. Bonds3

About 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine

2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine (PubChem CID 121287573) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine
PubChem CID121287573
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine
SMILESc1cnc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5cc7ccccc7cc5-6)c4)cccc3c2)nc1
InChIInChI=1S/C40H24N2/c1-2-8-26-24-38-36-18-17-33(34-13-5-14-35(39(34)36)37(38)23-25(26)7-1)28-10-3-9-27(21-28)31-12-4-11-29-22-30(15-16-32(29)31)40-41-19-6-20-42-40/h1-24H
InChIKeyURGVLXPOXSJWLN-UHFFFAOYSA-N
XLogP10.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
CID 121287572
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140710568
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232916
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine?
The IUPAC name of 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine (CID 121287573) is 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine is c1cnc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5cc7ccccc7cc5-6)c4)cccc3c2)nc1.
What is the InChIKey of 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine?
The InChIKey is URGVLXPOXSJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-2-8-26-24-38-36-18-17-33(34-13-5-14-35(39(34)36)37(38)23-25(26)7-1)28-10-3-9-27(21-28)31-12-4-11-29-22-30(15-16-32(29)31)40-41-19-6-20-42-40/h1-24H.
What are the key properties of 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine?
2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine has a molecular weight of 532.65 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 121287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).