3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine

C133H107N3S — CID 159013709

IUPAC3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
SMILESCc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4(C)C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3S4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C46H39N.C44H35N.C43H33NS/c1-28-19-22-35-36(25-28)44(29-20-23-32-31-13-9-10-16-37(31)45(2,3)40(32)26-29)34-15-8-7-14-33(34)43(35)30-21-24-39-42(27-30)47(6)41-18-12-11-17-38(41)46(39,4)5;1-27-17-21-36-37(23-27)43(30-20-22-33-32-12-8-9-15-38(32)44(2,3)39(33)25-30)35-14-7-6-13-34(35)42(36)31-19-18-29-24-28-11-5-10-16-40(28)45(4)41(29)26-31;1-26-17-20-33-34(23-26)42(27-18-21-30-29-11-7-8-14-35(29)43(2,3)36(30)24-27)32-13-6-5-12-31(32)41(33)28-19-22-40-38(25-28)44(4)37-15-9-10-16-39(37)45-40/h7-27H,1-6H3;5-23,25-26H,24H2,1-4H3;5-25H,1-4H3
InChIKeyJSUXTCLNBNAMBY-UHFFFAOYSA-N
MW1779.41 g/mol
LogP36.14
Rot. Bonds6

About 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine

3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine (PubChem CID 159013709) has the molecular formula C133H107N3S and a molecular weight of 1779.41 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
PubChem CID159013709
Molecular FormulaC133H107N3S
Molecular Weight1779.41 g/mol
Exact Mass1777.82
IUPAC Name3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
SMILESCc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4(C)C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3S4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C46H39N.C44H35N.C43H33NS/c1-28-19-22-35-36(25-28)44(29-20-23-32-31-13-9-10-16-37(31)45(2,3)40(32)26-29)34-15-8-7-14-33(34)43(35)30-21-24-39-42(27-30)47(6)41-18-12-11-17-38(41)46(39,4)5;1-27-17-21-36-37(23-27)43(30-20-22-33-32-12-8-9-15-38(32)44(2,3)39(33)25-30)35-14-7-6-13-34(35)42(36)31-19-18-29-24-28-11-5-10-16-40(28)45(4)41(29)26-31;1-26-17-20-33-34(23-26)42(27-18-21-30-29-11-7-8-14-35(29)43(2,3)36(30)24-27)32-13-6-5-12-31(32)41(33)28-19-22-40-38(25-28)44(4)37-15-9-10-16-39(37)45-40/h7-27H,1-6H3;5-23,25-26H,24H2,1-4H3;5-25H,1-4H3
InChIKeyJSUXTCLNBNAMBY-UHFFFAOYSA-N
XLogP36.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001779.41
LogP ≤ 536.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
CID 59195977
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine
CID 59196364
10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine
CID 59195702
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194861
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194817
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine
CID 59220847

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine (CID 159013709) is 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine is Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4(C)C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3S4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine?
The InChIKey is JSUXTCLNBNAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N.C44H35N.C43H33NS/c1-28-19-22-35-36(25-28)44(29-20-23-32-31-13-9-10-16-37(31)45(2,3)40(32)26-29)34-15-8-7-14-33(34)43(35)30-21-24-39-42(27-30)47(6)41-18-12-11-17-38(41)46(39,4)5;1-27-17-21-36-37(23-27)43(30-20-22-33-32-12-8-9-15-38(32)44(2,3)39(33)25-30)35-14-7-6-13-34(35)42(36)31-19-18-29-24-28-11-5-10-16-40(28)45(4)41(29)26-31;1-26-17-20-33-34(23-26)42(27-18-21-30-29-11-7-8-14-35(29)43(2,3)36(30)24-27)32-13-6-5-12-31(32)41(33)28-19-22-40-38(25-28)44(4)37-15-9-10-16-39(37)45-40/h7-27H,1-6H3;5-23,25-26H,24H2,1-4H3;5-25H,1-4H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine?
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine has a molecular weight of 1779.41 g/mol, XLogP of 36.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine is sourced from PubChem (CID 159013709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).