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

C66H44N2 — CID 126746544

IUPAC3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CNCC(c2ccc(-c3cc(-c4ccc(C5=CNCC=C5)cc4)cc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)=C1
InChIInChI=1S/C66H44N2/c1-3-13-57-55(11-1)61-17-5-15-59-53(27-29-63(57)65(59)61)51-36-50(37-52(38-51)54-28-30-64-58-14-4-2-12-56(58)62-18-6-16-60(54)66(62)64)49-34-47(43-23-19-41(20-24-43)45-9-7-31-67-39-45)33-48(35-49)44-25-21-42(22-26-44)46-10-8-32-68-40-46/h1-31,33-38,40,67-68H,32,39H2
InChIKeyJYRULEBMDWRCCZ-UHFFFAOYSA-N
MW865.09 g/mol
LogP16.62
Rot. Bonds7

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

3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine (PubChem CID 126746544) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
PubChem CID126746544
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CNCC(c2ccc(-c3cc(-c4ccc(C5=CNCC=C5)cc4)cc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)=C1
InChIInChI=1S/C66H44N2/c1-3-13-57-55(11-1)61-17-5-15-59-53(27-29-63(57)65(59)61)51-36-50(37-52(38-51)54-28-30-64-58-14-4-2-12-56(58)62-18-6-16-60(54)66(62)64)49-34-47(43-23-19-41(20-24-43)45-9-7-31-67-39-45)33-48(35-49)44-25-21-42(22-26-44)46-10-8-32-68-40-46/h1-31,33-38,40,67-68H,32,39H2
InChIKeyJYRULEBMDWRCCZ-UHFFFAOYSA-N
XLogP16.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 516.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 142301654
4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
CID 126746430
8-[3-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),5,9,11,13,16,18,20-nonaene
CID 129301364
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
3-[3-(1,8a-dihydroquinolin-3-yl)-5-[3,5-di(fluoranthen-3-yl)phenyl]phenyl]-1,2-dihydroquinoline
CID 126746552
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144738838
7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole
CID 156548867
2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138632125
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The IUPAC name of 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) is 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The canonical SMILES for 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine is C1=CNCC(c2ccc(-c3cc(-c4ccc(C5=CNCC=C5)cc4)cc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)=C1.
What is the InChIKey of 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The InChIKey is JYRULEBMDWRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-3-13-57-55(11-1)61-17-5-15-59-53(27-29-63(57)65(59)61)51-36-50(37-52(38-51)54-28-30-64-58-14-4-2-12-56(58)62-18-6-16-60(54)66(62)64)49-34-47(43-23-19-41(20-24-43)45-9-7-31-67-39-45)33-48(35-49)44-25-21-42(22-26-44)46-10-8-32-68-40-46/h1-31,33-38,40,67-68H,32,39H2.
What are the key properties of 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine has a molecular weight of 865.09 g/mol, XLogP of 16.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 126746544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).