2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine

C66H44N2 — CID 126746545

IUPAC2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CCNC(c2ccc(-c3cc(-c4ccc(C5C=CC=CN5)cc4)cc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)=C1
InChIInChI=1S/C66H44N2/c1-3-13-55-53(11-1)59-17-9-15-57-51(29-31-61(55)65(57)59)49-38-48(39-50(40-49)52-30-32-62-56-14-4-2-12-54(56)60-18-10-16-58(52)66(60)62)47-36-45(41-21-25-43(26-22-41)63-19-5-7-33-67-63)35-46(37-47)42-23-27-44(28-24-42)64-20-6-8-34-68-64/h1-33,35-40,63,67-68H,34H2
InChIKeyAWBVRTFYVHRMTO-UHFFFAOYSA-N
MW865.09 g/mol
LogP16.84
Rot. Bonds7

About 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine

2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine (PubChem CID 126746545) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
PubChem CID126746545
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CCNC(c2ccc(-c3cc(-c4ccc(C5C=CC=CN5)cc4)cc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)=C1
InChIInChI=1S/C66H44N2/c1-3-13-55-53(11-1)59-17-9-15-57-51(29-31-61(55)65(57)59)49-38-48(39-50(40-49)52-30-32-62-56-14-4-2-12-54(56)60-18-10-16-58(52)66(60)62)47-36-45(41-21-25-43(26-22-41)63-19-5-7-33-67-63)35-46(37-47)42-23-27-44(28-24-42)64-20-6-8-34-68-64/h1-33,35-40,63,67-68H,34H2
InChIKeyAWBVRTFYVHRMTO-UHFFFAOYSA-N
XLogP16.84
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 ≤ 516.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine
CID 126746442
2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
CID 118861048
3-[3-(1,8a-dihydroquinolin-3-yl)-5-[3,5-di(fluoranthen-3-yl)phenyl]phenyl]-1,2-dihydroquinoline
CID 126746552
4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
CID 126746430
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-[3-(1,2-dihydropyridin-6-yl)-5-triphenylen-2-ylphenyl]pyridine
CID 146359971
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine
CID 134444970
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 130184177
3-[3-[24-(1,2-dihydropyridin-6-yl)-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]phenyl]pyridine
CID 118860871
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 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The IUPAC name of 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) is 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The canonical SMILES for 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine is C1=CCNC(c2ccc(-c3cc(-c4ccc(C5C=CC=CN5)cc4)cc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)=C1.
What is the InChIKey of 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The InChIKey is AWBVRTFYVHRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-3-13-55-53(11-1)59-17-9-15-57-51(29-31-61(55)65(57)59)49-38-48(39-50(40-49)52-30-32-62-56-14-4-2-12-54(56)60-18-10-16-58(52)66(60)62)47-36-45(41-21-25-43(26-22-41)63-19-5-7-33-67-63)35-46(37-47)42-23-27-44(28-24-42)64-20-6-8-34-68-64/h1-33,35-40,63,67-68H,34H2.
What are the key properties of 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine has a molecular weight of 865.09 g/mol, XLogP of 16.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 126746545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).