N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine

C53H32N2 — CID 118312599

IUPACN-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
SMILESc1cncc(N(c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)c2cccc3ccccc23)c1
InChIInChI=1S/C53H32N2/c1-2-14-40-33(11-1)12-7-23-51(40)55(36-13-10-28-54-32-36)37-30-34(38-24-26-49-43-17-5-3-15-41(43)47-21-8-19-45(38)52(47)49)29-35(31-37)39-25-27-50-44-18-6-4-16-42(44)48-22-9-20-46(39)53(48)50/h1-32H
InChIKeyYZLUHZURYBJZFP-UHFFFAOYSA-N
MW696.85 g/mol
LogP14.64
Rot. Bonds5

About N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine

N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine (PubChem CID 118312599) has the molecular formula C53H32N2 and a molecular weight of 696.85 g/mol. Its IUPAC name is N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
PubChem CID118312599
Molecular FormulaC53H32N2
Molecular Weight696.85 g/mol
Exact Mass696.26
IUPAC NameN-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
SMILESc1cncc(N(c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)c2cccc3ccccc23)c1
InChIInChI=1S/C53H32N2/c1-2-14-40-33(11-1)12-7-23-51(40)55(36-13-10-28-54-32-36)37-30-34(38-24-26-49-43-17-5-3-15-41(43)47-21-8-19-45(38)52(47)49)29-35(31-37)39-25-27-50-44-18-6-4-16-42(44)48-22-9-20-46(39)53(48)50/h1-32H
InChIKeyYZLUHZURYBJZFP-UHFFFAOYSA-N
XLogP14.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 137392263
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
CID 118410702
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-naphthalen-1-yl-6-[3-[3-[naphthalen-1-yl(pyridin-4-yl)amino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]pyridin-3-amine
CID 134387092
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine
CID 118312464
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
N-fluoranthen-8-yl-N-phenylpyridin-3-amine
CID 118410662
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216

Frequently Asked Questions

What is the IUPAC name of N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine?
The IUPAC name of N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine (CID 118312599) is N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine.
What is the SMILES notation for N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine?
The canonical SMILES for N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine is c1cncc(N(c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)c2cccc3ccccc23)c1.
What is the InChIKey of N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine?
The InChIKey is YZLUHZURYBJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2/c1-2-14-40-33(11-1)12-7-23-51(40)55(36-13-10-28-54-32-36)37-30-34(38-24-26-49-43-17-5-3-15-41(43)47-21-8-19-45(38)52(47)49)29-35(31-37)39-25-27-50-44-18-6-4-16-42(44)48-22-9-20-46(39)53(48)50/h1-32H.
What are the key properties of N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine?
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine has a molecular weight of 696.85 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine is sourced from PubChem (CID 118312599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).