2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

C30H22ClN3 — CID 175634418

IUPAC2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C30H22ClN3/c1-30(2)23-16-10-9-15-22(23)26-24(30)17-21(18-25(26)31)29-33-27(19-11-5-3-6-12-19)32-28(34-29)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyPBGLKNNAKBZNLI-UHFFFAOYSA-N
MW459.98 g/mol
LogP7.83
Rot. Bonds3

About 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 175634418) has the molecular formula C30H22ClN3 and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID175634418
Molecular FormulaC30H22ClN3
Molecular Weight459.98 g/mol
Exact Mass459.15
IUPAC Name2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C30H22ClN3/c1-30(2)23-16-10-9-15-22(23)26-24(30)17-21(18-25(26)31)29-33-27(19-11-5-3-6-12-19)32-28(34-29)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyPBGLKNNAKBZNLI-UHFFFAOYSA-N
XLogP7.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 162486327
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 175634418) is 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PBGLKNNAKBZNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN3/c1-30(2)23-16-10-9-15-22(23)26-24(30)17-21(18-25(26)31)29-33-27(19-11-5-3-6-12-19)32-28(34-29)20-13-7-4-8-14-20/h3-18H,1-2H3.
What are the key properties of 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 459.98 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 175634418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).