2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine

C29H17Br2Cl2N3 — CID 89381767

IUPAC2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
SMILESCc1ccc(C2(c3ccc(-c4nc(Cl)nc(Cl)n4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C29H17Br2Cl2N3/c1-16-2-6-18(7-3-16)29(19-8-4-17(5-9-19)26-34-27(32)36-28(33)35-26)24-14-20(30)10-12-22(24)23-13-11-21(31)15-25(23)29/h2-15H,1H3
InChIKeyWYWUTOSSDZYXTF-UHFFFAOYSA-N
MW638.19 g/mol
LogP9.04
Rot. Bonds3

About 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine

2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine (PubChem CID 89381767) has the molecular formula C29H17Br2Cl2N3 and a molecular weight of 638.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
PubChem CID89381767
Molecular FormulaC29H17Br2Cl2N3
Molecular Weight638.19 g/mol
Exact Mass634.92
IUPAC Name2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
SMILESCc1ccc(C2(c3ccc(-c4nc(Cl)nc(Cl)n4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C29H17Br2Cl2N3/c1-16-2-6-18(7-3-16)29(19-8-4-17(5-9-19)26-34-27(32)36-28(33)35-26)24-14-20(30)10-12-22(24)23-13-11-21(31)15-25(23)29/h2-15H,1H3
InChIKeyWYWUTOSSDZYXTF-UHFFFAOYSA-N
XLogP9.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.19
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Di(4-biphenylyl)-6-(3-bromophenyl)-1,3,5-triazine
CID 90401467
2-Chloro-4-(9,9-diethyl-9h-fluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 125480095
2,4-Bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159992290
2-[4-[2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140314624
2-(4-Bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
2-Chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine
CID 135078420
2-[4-[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158434657
2-([1,1'-Biphenyl]-4-yl)-4-(5-bromo-2-fluorophenyl)-6-phenyl-1,3,5-triazine
CID 168451211
2,4-Bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 22721466
2,4-Bis(tert-butylsulfanyl)-6-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 58078182
2,4-Diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
CID 58233246
2-(9,9-Dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233252

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine (CID 89381767) is 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine is Cc1ccc(C2(c3ccc(-c4nc(Cl)nc(Cl)n4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
The InChIKey is WYWUTOSSDZYXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Br2Cl2N3/c1-16-2-6-18(7-3-16)29(19-8-4-17(5-9-19)26-34-27(32)36-28(33)35-26)24-14-20(30)10-12-22(24)23-13-11-21(31)15-25(23)29/h2-15H,1H3.
What are the key properties of 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 638.19 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[4-[2,7-dibromo-9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 89381767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).