N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine

C37H26N2 — CID 166714044

IUPACN-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine
SMILESC1=CC(N(c2ccncc2)c2cccc3ccccc23)CC=C1c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C37H26N2/c1-2-9-30-25(7-1)8-5-14-36(30)39(28-21-23-38-24-22-28)27-17-15-26(16-18-27)29-19-20-35-32-11-4-3-10-31(32)34-13-6-12-33(29)37(34)35/h1-17,19-24,27H,18H2
InChIKeyKTIRJBVDIIOCEX-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.59
Rot. Bonds4

About N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine

N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine (PubChem CID 166714044) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine
PubChem CID166714044
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC NameN-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine
SMILESC1=CC(N(c2ccncc2)c2cccc3ccccc23)CC=C1c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C37H26N2/c1-2-9-30-25(7-1)8-5-14-36(30)39(28-21-23-38-24-22-28)27-17-15-26(16-18-27)29-19-20-35-32-11-4-3-10-31(32)34-13-6-12-33(29)37(34)35/h1-17,19-24,27H,18H2
InChIKeyKTIRJBVDIIOCEX-UHFFFAOYSA-N
XLogP9.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
CID 153357645
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170412956
N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 123939537
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
CID 118410702
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
9-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 170411394
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
12-N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-12-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855472
1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine
CID 134173109

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine?
The IUPAC name of N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine (CID 166714044) is N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine.
What is the SMILES notation for N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine?
The canonical SMILES for N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine is C1=CC(N(c2ccncc2)c2cccc3ccccc23)CC=C1c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine?
The InChIKey is KTIRJBVDIIOCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-2-9-30-25(7-1)8-5-14-36(30)39(28-21-23-38-24-22-28)27-17-15-26(16-18-27)29-19-20-35-32-11-4-3-10-31(32)34-13-6-12-33(29)37(34)35/h1-17,19-24,27H,18H2.
What are the key properties of N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine?
N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine has a molecular weight of 498.63 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine is sourced from PubChem (CID 166714044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).