2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine

C37H34ClN3 — CID 135078420

IUPAC2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)n3)cc21
InChIInChI=1S/C37H34ClN3/c1-5-36(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)36)33-39-34(41-35(38)40-33)24-18-20-28-26-14-10-12-16-30(26)37(7-3,8-4)32(28)22-24/h9-22H,5-8H2,1-4H3
InChIKeyCBMANKIPPXAKFE-UHFFFAOYSA-N
MW556.15 g/mol
LogP10.03
Rot. Bonds6

About 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine

2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine (PubChem CID 135078420) has the molecular formula C37H34ClN3 and a molecular weight of 556.15 g/mol. Its IUPAC name is 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine
PubChem CID135078420
Molecular FormulaC37H34ClN3
Molecular Weight556.15 g/mol
Exact Mass555.24
IUPAC Name2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)n3)cc21
InChIInChI=1S/C37H34ClN3/c1-5-36(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)36)33-39-34(41-35(38)40-33)24-18-20-28-26-14-10-12-16-30(26)37(7-3,8-4)32(28)22-24/h9-22H,5-8H2,1-4H3
InChIKeyCBMANKIPPXAKFE-UHFFFAOYSA-N
XLogP10.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.15
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
Tris-biphenyl triazine
CID 11628027
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine
CID 23546878
2,4-Bis(4-(tert-butyl)phenyl)-6-chloro-1,3,5-triazine (This product is only available in Japan.)
CID 22475991
2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 118652415
2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
2,4,6-Trimesityl-1,3,5-triazine
CID 23527749
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine (CID 135078420) is 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine is CCC1(CC)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)n3)cc21.
What is the InChIKey of 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine?
The InChIKey is CBMANKIPPXAKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34ClN3/c1-5-36(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)36)33-39-34(41-35(38)40-33)24-18-20-28-26-14-10-12-16-30(26)37(7-3,8-4)32(28)22-24/h9-22H,5-8H2,1-4H3.
What are the key properties of 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine?
2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 556.15 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 135078420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).