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

C45H32N6 — CID 20652069

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C45H32N6/c1-45(2)37-27-33(43-48-39(29-15-7-3-8-16-29)46-40(49-43)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)45)44-50-41(31-19-11-5-12-20-31)47-42(51-44)32-21-13-6-14-22-32/h3-28H,1-2H3
InChIKeyIWDBDCMLVWTPCT-UHFFFAOYSA-N
MW656.79 g/mol
LogP10.36
Rot. Bonds6

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

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 20652069) has the molecular formula C45H32N6 and a molecular weight of 656.79 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID20652069
Molecular FormulaC45H32N6
Molecular Weight656.79 g/mol
Exact Mass656.27
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C45H32N6/c1-45(2)37-27-33(43-48-39(29-15-7-3-8-16-29)46-40(49-43)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)45)44-50-41(31-19-11-5-12-20-31)47-42(51-44)32-21-13-6-14-22-32/h3-28H,1-2H3
InChIKeyIWDBDCMLVWTPCT-UHFFFAOYSA-N
XLogP10.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 510.36
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)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 20652069) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-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)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)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)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IWDBDCMLVWTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N6/c1-45(2)37-27-33(43-48-39(29-15-7-3-8-16-29)46-40(49-43)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)45)44-50-41(31-19-11-5-12-20-31)47-42(51-44)32-21-13-6-14-22-32/h3-28H,1-2H3.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 656.79 g/mol, XLogP of 10.36, 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)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 20652069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).