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

C35H24BrN3 — CID 118507625

IUPAC2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(c2ccccc2)c2cc(Br)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C35H24BrN3/c1-35(25-16-9-4-10-17-25)29-19-11-18-28(31(29)27-21-20-26(36)22-30(27)35)34-38-32(23-12-5-2-6-13-23)37-33(39-34)24-14-7-3-8-15-24/h2-22H,1H3
InChIKeyKGEVHVBLAKBNJQ-UHFFFAOYSA-N
MW566.50 g/mol
LogP8.97
Rot. Bonds4

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

2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 118507625) has the molecular formula C35H24BrN3 and a molecular weight of 566.50 g/mol. Its IUPAC name is 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID118507625
Molecular FormulaC35H24BrN3
Molecular Weight566.50 g/mol
Exact Mass565.12
IUPAC Name2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(c2ccccc2)c2cc(Br)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C35H24BrN3/c1-35(25-16-9-4-10-17-25)29-19-11-18-28(31(29)27-21-20-26(36)22-30(27)35)34-38-32(23-12-5-2-6-13-23)37-33(39-34)24-14-7-3-8-15-24/h2-22H,1H3
InChIKeyKGEVHVBLAKBNJQ-UHFFFAOYSA-N
XLogP8.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 58.97
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-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 118507625) is 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is CC1(c2ccccc2)c2cc(Br)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KGEVHVBLAKBNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN3/c1-35(25-16-9-4-10-17-25)29-19-11-18-28(31(29)27-21-20-26(36)22-30(27)35)34-38-32(23-12-5-2-6-13-23)37-33(39-34)24-14-7-3-8-15-24/h2-22H,1H3.
What are the key properties of 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 566.50 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118507625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).