3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole

C44H36N4S — CID 146534121

IUPAC3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3nsc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)n3)ccc21
InChIInChI=1S/C44H36N4S/c1-43(2)33-19-11-13-21-37(33)47(31-15-7-5-8-16-31)39-27-29(23-25-35(39)43)41-45-42(49-46-41)30-24-26-36-40(28-30)48(32-17-9-6-10-18-32)38-22-14-12-20-34(38)44(36,3)4/h5-28H,1-4H3
InChIKeyJDSGSFZQVDHDMC-UHFFFAOYSA-N
MW652.87 g/mol
LogP12.09
Rot. Bonds4

About 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole

3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole (PubChem CID 146534121) has the molecular formula C44H36N4S and a molecular weight of 652.87 g/mol. Its IUPAC name is 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
PubChem CID146534121
Molecular FormulaC44H36N4S
Molecular Weight652.87 g/mol
Exact Mass652.27
IUPAC Name3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3nsc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)n3)ccc21
InChIInChI=1S/C44H36N4S/c1-43(2)33-19-11-13-21-37(33)47(31-15-7-5-8-16-31)39-27-29(23-25-35(39)43)41-45-42(49-46-41)30-24-26-36-40(28-30)48(32-17-9-6-10-18-32)38-22-14-12-20-34(38)44(36,3)4/h5-28H,1-4H3
InChIKeyJDSGSFZQVDHDMC-UHFFFAOYSA-N
XLogP12.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.87
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
CID 146533923
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole (CID 146534121) is 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3nsc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)n3)ccc21.
What is the InChIKey of 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole?
The InChIKey is JDSGSFZQVDHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N4S/c1-43(2)33-19-11-13-21-37(33)47(31-15-7-5-8-16-31)39-27-29(23-25-35(39)43)41-45-42(49-46-41)30-24-26-36-40(28-30)48(32-17-9-6-10-18-32)38-22-14-12-20-34(38)44(36,3)4/h5-28H,1-4H3.
What are the key properties of 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole?
3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole has a molecular weight of 652.87 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 146534121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).