N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine

C25H18N4 — CID 118312445

IUPACN-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC1=NCN=C(N(c2ccccc2)c2ccc3c4c(cccc24)-c2ccccc2-3)N1
InChIInChI=1S/C25H18N4/c1-2-7-17(8-3-1)29(25-27-15-26-16-28-25)23-14-13-21-19-10-5-4-9-18(19)20-11-6-12-22(23)24(20)21/h1-15H,16H2,(H,26,27,28)
InChIKeyJRRJQBYJNMTYEX-UHFFFAOYSA-N
MW374.45 g/mol
LogP5.57
Rot. Bonds2

About N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine

N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 118312445) has the molecular formula C25H18N4 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID118312445
Molecular FormulaC25H18N4
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC NameN-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC1=NCN=C(N(c2ccccc2)c2ccc3c4c(cccc24)-c2ccccc2-3)N1
InChIInChI=1S/C25H18N4/c1-2-7-17(8-3-1)29(25-27-15-26-16-28-25)23-14-13-21-19-10-5-4-9-18(19)20-11-6-12-22(23)24(20)21/h1-15H,16H2,(H,26,27,28)
InChIKeyJRRJQBYJNMTYEX-UHFFFAOYSA-N
XLogP5.57
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
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-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
N,N-diphenyl-7H-benzo[a]phenalen-3-amine
CID 175195276
2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
CID 90194191
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
CID 23534512
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 59841653

Frequently Asked Questions

What is the IUPAC name of N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine (CID 118312445) is N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine is C1=NCN=C(N(c2ccccc2)c2ccc3c4c(cccc24)-c2ccccc2-3)N1.
What is the InChIKey of N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is JRRJQBYJNMTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4/c1-2-7-17(8-3-1)29(25-27-15-26-16-28-25)23-14-13-21-19-10-5-4-9-18(19)20-11-6-12-22(23)24(20)21/h1-15H,16H2,(H,26,27,28).
What are the key properties of N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine?
N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 118312445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).