10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine

C45H36N4 — CID 71007105

IUPAC10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C45H36N4/c1-44(2)35-25-23-31(43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30)27-33(35)34-28-32(24-26-36(34)44)49-39-21-13-11-19-37(39)45(3,4)38-20-12-14-22-40(38)49/h5-28H,1-4H3
InChIKeySZUYHGCNKPLOHM-UHFFFAOYSA-N
MW632.81 g/mol
LogP11.29
Rot. Bonds4

About 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine

10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine (PubChem CID 71007105) has the molecular formula C45H36N4 and a molecular weight of 632.81 g/mol. Its IUPAC name is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine
PubChem CID71007105
Molecular FormulaC45H36N4
Molecular Weight632.81 g/mol
Exact Mass632.29
IUPAC Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C45H36N4/c1-44(2)35-25-23-31(43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30)27-33(35)34-28-32(24-26-36(34)44)49-39-21-13-11-19-37(39)45(3,4)38-20-12-14-22-40(38)49/h5-28H,1-4H3
InChIKeySZUYHGCNKPLOHM-UHFFFAOYSA-N
XLogP11.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine (CID 71007105) is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine is CC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.
What is the InChIKey of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine?
The InChIKey is SZUYHGCNKPLOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4/c1-44(2)35-25-23-31(43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30)27-33(35)34-28-32(24-26-36(34)44)49-39-21-13-11-19-37(39)45(3,4)38-20-12-14-22-40(38)49/h5-28H,1-4H3.
What are the key properties of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine?
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine has a molecular weight of 632.81 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 71007105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).