2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine

C38H19Cl5N6 — CID 160640226

IUPAC2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)n1.Clc1nc(Cl)nc(Cl)n1.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C19H9Cl2N3.C16H10.C3Cl3N3/c20-18-22-17(23-19(21)24-18)15-9-8-14-11-5-2-1-4-10(11)12-6-3-7-13(15)16(12)14;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;4-1-7-2(5)9-3(6)8-1/h1-9H;1-10H;
InChIKeyRJBSRSRUBDVSAW-UHFFFAOYSA-N
MW736.88 g/mol
LogP11.97
Rot. Bonds1

About 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine

2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine (PubChem CID 160640226) has the molecular formula C38H19Cl5N6 and a molecular weight of 736.88 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine
PubChem CID160640226
Molecular FormulaC38H19Cl5N6
Molecular Weight736.88 g/mol
Exact Mass734.01
IUPAC Name2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)n1.Clc1nc(Cl)nc(Cl)n1.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C19H9Cl2N3.C16H10.C3Cl3N3/c20-18-22-17(23-19(21)24-18)15-9-8-14-11-5-2-1-4-10(11)12-6-3-7-13(15)16(12)14;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;4-1-7-2(5)9-3(6)8-1/h1-9H;1-10H;
InChIKeyRJBSRSRUBDVSAW-UHFFFAOYSA-N
XLogP11.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-6-[2-(2-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 177076670
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
fluoranthene
CID 139203734
ethane;fluoranthene;triphenylene
CID 160720447
4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 137424604
2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
CID 129258763
2-chloro-4-phenyl-6-pyren-4-yl-1,3,5-triazine
CID 118371085
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine (CID 160640226) is 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine is Clc1nc(Cl)nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)n1.Clc1nc(Cl)nc(Cl)n1.c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is RJBSRSRUBDVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2N3.C16H10.C3Cl3N3/c20-18-22-17(23-19(21)24-18)15-9-8-14-11-5-2-1-4-10(11)12-6-3-7-13(15)16(12)14;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;4-1-7-2(5)9-3(6)8-1/h1-9H;1-10H;.
What are the key properties of 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine?
2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 736.88 g/mol, XLogP of 11.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 160640226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).