2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

C41H26BrN3 — CID 86729164

IUPAC2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2c(c1)C(C1c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc31)c1ccccc1-2
InChIInChI=1S/C41H26BrN3/c42-28-20-22-32-30-16-8-10-18-34(30)38(36(32)24-28)37-33-17-9-7-15-29(33)31-21-19-27(23-35(31)37)41-44-39(25-11-3-1-4-12-25)43-40(45-41)26-13-5-2-6-14-26/h1-24,37-38H
InChIKeyJCQFJUIKVWQLSS-UHFFFAOYSA-N
MW640.58 g/mol
LogP10.56
Rot. Bonds4

About 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 86729164) has the molecular formula C41H26BrN3 and a molecular weight of 640.58 g/mol. Its IUPAC name is 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID86729164
Molecular FormulaC41H26BrN3
Molecular Weight640.58 g/mol
Exact Mass639.13
IUPAC Name2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2c(c1)C(C1c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc31)c1ccccc1-2
InChIInChI=1S/C41H26BrN3/c42-28-20-22-32-30-16-8-10-18-34(30)38(36(32)24-28)37-33-17-9-7-15-29(33)31-21-19-27(23-35(31)37)41-44-39(25-11-3-1-4-12-25)43-40(45-41)26-13-5-2-6-14-26/h1-24,37-38H
InChIKeyJCQFJUIKVWQLSS-UHFFFAOYSA-N
XLogP10.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.58
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 86729164) is 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is Brc1ccc2c(c1)C(C1c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc31)c1ccccc1-2.
What is the InChIKey of 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JCQFJUIKVWQLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26BrN3/c42-28-20-22-32-30-16-8-10-18-34(30)38(36(32)24-28)37-33-17-9-7-15-29(33)31-21-19-27(23-35(31)37)41-44-39(25-11-3-1-4-12-25)43-40(45-41)26-13-5-2-6-14-26/h1-24,37-38H.
What are the key properties of 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 640.58 g/mol, XLogP of 10.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-bromo-9H-fluoren-9-yl)-9H-fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 86729164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).