10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine

C37H29N3 — CID 70800293

IUPAC10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21
InChIInChI=1S/C37H29N3/c1-37(2)30-17-9-11-19-34(30)40(35-20-12-10-18-31(35)37)29-23-21-27(22-24-29)33-25-32(26-13-5-3-6-14-26)38-36(39-33)28-15-7-4-8-16-28/h3-25H,1-2H3
InChIKeyKFLXNXDUDLDPDS-UHFFFAOYSA-N
MW515.66 g/mol
LogP9.59
Rot. Bonds4

About 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine

10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine (PubChem CID 70800293) has the molecular formula C37H29N3 and a molecular weight of 515.66 g/mol. Its IUPAC name is 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine
PubChem CID70800293
Molecular FormulaC37H29N3
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC Name10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21
InChIInChI=1S/C37H29N3/c1-37(2)30-17-9-11-19-34(30)40(35-20-12-10-18-31(35)37)29-23-21-27(22-24-29)33-25-32(26-13-5-3-6-14-26)38-36(39-33)28-15-7-4-8-16-28/h3-25H,1-2H3
InChIKeyKFLXNXDUDLDPDS-UHFFFAOYSA-N
XLogP9.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine (CID 70800293) is 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is KFLXNXDUDLDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3/c1-37(2)30-17-9-11-19-34(30)40(35-20-12-10-18-31(35)37)29-23-21-27(22-24-29)33-25-32(26-13-5-3-6-14-26)38-36(39-33)28-15-7-4-8-16-28/h3-25H,1-2H3.
What are the key properties of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine?
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 515.66 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 70800293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).