4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine

C30H28N2 — CID 122400307

IUPAC4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
SMILESCC1(C)c2ccccc2Nc2c(-c3cccc4c3Nc3ccccc3C4(C)C)cccc21
InChIInChI=1S/C30H28N2/c1-29(2)21-13-5-7-17-25(21)31-27-19(11-9-15-23(27)29)20-12-10-16-24-28(20)32-26-18-8-6-14-22(26)30(24,3)4/h5-18,31-32H,1-4H3
InChIKeyHDDVYDOYMXUIHO-UHFFFAOYSA-N
MW416.57 g/mol
LogP8.12
Rot. Bonds1

About 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine

4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine (PubChem CID 122400307) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine.

Molecular Properties

Compound Name4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
PubChem CID122400307
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
SMILESCC1(C)c2ccccc2Nc2c(-c3cccc4c3Nc3ccccc3C4(C)C)cccc21
InChIInChI=1S/C30H28N2/c1-29(2)21-13-5-7-17-25(21)31-27-19(11-9-15-23(27)29)20-12-10-16-24-28(20)32-26-18-8-6-14-22(26)30(24,3)4/h5-18,31-32H,1-4H3
InChIKeyHDDVYDOYMXUIHO-UHFFFAOYSA-N
XLogP8.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,10-dihydrophenazin-1-yl)-5,10-dihydrophenazine
CID 150257947
1-chloro-9,9-dimethyl-10H-acridine
CID 151923654
4,4-dimethyl-9H-selenopheno[2,3-b]quinoline
CID 139035352
10,10,14,14-tetramethyl-5-phenyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 170029769
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
13,13-dimethyl-5,8-dihydroindeno[1,2-a]acridine
CID 162108853
9-(9,9-dimethylfluoren-3-yl)-9-methyl-10H-acridine
CID 153463073
1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline
CID 155600048
4-[8-(9,9-dimethyl-10H-acridin-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine
CID 162006739
10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 146268279
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine?
The IUPAC name of 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine (CID 122400307) is 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine.
What is the SMILES notation for 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine?
The canonical SMILES for 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine is CC1(C)c2ccccc2Nc2c(-c3cccc4c3Nc3ccccc3C4(C)C)cccc21.
What is the InChIKey of 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine?
The InChIKey is HDDVYDOYMXUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-29(2)21-13-5-7-17-25(21)31-27-19(11-9-15-23(27)29)20-12-10-16-24-28(20)32-26-18-8-6-14-22(26)30(24,3)4/h5-18,31-32H,1-4H3.
What are the key properties of 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine?
4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine has a molecular weight of 416.57 g/mol, XLogP of 8.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine is sourced from PubChem (CID 122400307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).