10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine

C36H32N2 — CID 59399601

IUPAC10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C36H32N2/c1-35(2)27-16-5-9-20-31(27)37(32-21-10-6-17-28(32)35)25-14-13-15-26(24-25)38-33-22-11-7-18-29(33)36(3,4)30-19-8-12-23-34(30)38/h5-24H,1-4H3
InChIKeyYTFWHIWYNPWHRX-UHFFFAOYSA-N
MW492.67 g/mol
LogP9.90
Rot. Bonds2

About 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine

10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine (PubChem CID 59399601) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
PubChem CID59399601
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C36H32N2/c1-35(2)27-16-5-9-20-31(27)37(32-21-10-6-17-28(32)35)25-14-13-15-26(24-25)38-33-22-11-7-18-29(33)36(3,4)30-19-8-12-23-34(30)38/h5-24H,1-4H3
InChIKeyYTFWHIWYNPWHRX-UHFFFAOYSA-N
XLogP9.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine (CID 59399601) is 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cccc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is YTFWHIWYNPWHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/c1-35(2)27-16-5-9-20-31(27)37(32-21-10-6-17-28(32)35)25-14-13-15-26(24-25)38-33-22-11-7-18-29(33)36(3,4)30-19-8-12-23-34(30)38/h5-24H,1-4H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 492.67 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 59399601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).