2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

C30H22BrN3 — CID 90177102

IUPAC2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C30H22BrN3/c1-30(2)25-17-21(13-15-23(25)24-16-14-22(31)18-26(24)30)29-33-27(19-9-5-3-6-10-19)32-28(34-29)20-11-7-4-8-12-20/h3-18H,1-2H3
InChIKeyJVCGRNFVJXKFRR-UHFFFAOYSA-N
MW504.43 g/mol
LogP7.94
Rot. Bonds3

About 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 90177102) has the molecular formula C30H22BrN3 and a molecular weight of 504.43 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID90177102
Molecular FormulaC30H22BrN3
Molecular Weight504.43 g/mol
Exact Mass503.10
IUPAC Name2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C30H22BrN3/c1-30(2)25-17-21(13-15-23(25)24-16-14-22(31)18-26(24)30)29-33-27(19-9-5-3-6-10-19)32-28(34-29)20-11-7-4-8-12-20/h3-18H,1-2H3
InChIKeyJVCGRNFVJXKFRR-UHFFFAOYSA-N
XLogP7.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.43
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 90177102) is 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JVCGRNFVJXKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN3/c1-30(2)25-17-21(13-15-23(25)24-16-14-22(31)18-26(24)30)29-33-27(19-9-5-3-6-10-19)32-28(34-29)20-11-7-4-8-12-20/h3-18H,1-2H3.
What are the key properties of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 504.43 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 90177102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).