4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine

C44H32N2 — CID 126746430

IUPAC4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CC(c2ccc(-c3cc(-c4ccc(C5=CCNC=C5)cc4)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)=CCN1
InChIInChI=1S/C44H32N2/c1-2-5-40-39(4-1)42-7-3-6-41-38(16-17-43(40)44(41)42)37-27-35(31-12-8-29(9-13-31)33-18-22-45-23-19-33)26-36(28-37)32-14-10-30(11-15-32)34-20-24-46-25-21-34/h1-22,24,26-28,45-46H,23,25H2
InChIKeyIFHYHGSIKLQHHJ-UHFFFAOYSA-N
MW588.75 g/mol
LogP10.49
Rot. Bonds5

About 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine

4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine (PubChem CID 126746430) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
PubChem CID126746430
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CC(c2ccc(-c3cc(-c4ccc(C5=CCNC=C5)cc4)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)=CCN1
InChIInChI=1S/C44H32N2/c1-2-5-40-39(4-1)42-7-3-6-41-38(16-17-43(40)44(41)42)37-27-35(31-12-8-29(9-13-31)33-18-22-45-23-19-33)26-36(28-37)32-14-10-30(11-15-32)34-20-24-46-25-21-34/h1-22,24,26-28,45-46H,23,25H2
InChIKeyIFHYHGSIKLQHHJ-UHFFFAOYSA-N
XLogP10.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 510.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746544
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746545
2-cyclohexa-1,5-dien-1-yl-4-[3-fluoranthen-3-yl-5-(4-pyridin-2-ylphenyl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 144775582
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 145299536
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
4-[3-[3-[3-[3-[3-(1,2-dihydropyridin-4-yl)phenyl]phenyl]-5-phenanthren-9-ylphenyl]phenyl]cyclohexa-1,5-dien-1-yl]pyridine
CID 155116800
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
CID 144968008

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine?
The IUPAC name of 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine (CID 126746430) is 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine?
The canonical SMILES for 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine is C1=CC(c2ccc(-c3cc(-c4ccc(C5=CCNC=C5)cc4)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)=CCN1.
What is the InChIKey of 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine?
The InChIKey is IFHYHGSIKLQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-2-5-40-39(4-1)42-7-3-6-41-38(16-17-43(40)44(41)42)37-27-35(31-12-8-29(9-13-31)33-18-22-45-23-19-33)26-36(28-37)32-14-10-30(11-15-32)34-20-24-46-25-21-34/h1-22,24,26-28,45-46H,23,25H2.
What are the key properties of 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine?
4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine has a molecular weight of 588.75 g/mol, XLogP of 10.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 126746430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).