2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

C44H29FN6 — CID 135247229

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C44H29FN6/c1-44(45)36-26-32(42-48-38(28-14-6-2-7-15-28)46-39(49-42)29-16-8-3-9-17-29)22-24-34(36)35-25-23-33(27-37(35)44)43-50-40(30-18-10-4-11-19-30)47-41(51-43)31-20-12-5-13-21-31/h2-27H,1H3
InChIKeyQKJCARFQLPNHCB-UHFFFAOYSA-N
MW660.76 g/mol
LogP10.27
Rot. Bonds6

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 135247229) has the molecular formula C44H29FN6 and a molecular weight of 660.76 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID135247229
Molecular FormulaC44H29FN6
Molecular Weight660.76 g/mol
Exact Mass660.24
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C44H29FN6/c1-44(45)36-26-32(42-48-38(28-14-6-2-7-15-28)46-39(49-42)29-16-8-3-9-17-29)22-24-34(36)35-25-23-33(27-37(35)44)43-50-40(30-18-10-4-11-19-30)47-41(51-43)31-20-12-5-13-21-31/h2-27H,1H3
InChIKeyQKJCARFQLPNHCB-UHFFFAOYSA-N
XLogP10.27
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.76
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 135247229) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is CC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QKJCARFQLPNHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29FN6/c1-44(45)36-26-32(42-48-38(28-14-6-2-7-15-28)46-39(49-42)29-16-8-3-9-17-29)22-24-34(36)35-25-23-33(27-37(35)44)43-50-40(30-18-10-4-11-19-30)47-41(51-43)31-20-12-5-13-21-31/h2-27H,1H3.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 660.76 g/mol, XLogP of 10.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-fluoro-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 135247229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).