10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine

C35H27N — CID 59195702

IUPAC10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine
SMILESCc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)N(C)c3ccccc3C4)c2c1
InChIInChI=1S/C35H27N/c1-23-16-19-30-31(20-23)35(29-14-8-7-13-28(29)34(30)24-10-4-3-5-11-24)27-18-17-26-21-25-12-6-9-15-32(25)36(2)33(26)22-27/h3-20,22H,21H2,1-2H3
InChIKeyCYIFJZFEXJLQGF-UHFFFAOYSA-N
MW461.61 g/mol
LogP9.31
Rot. Bonds2

About 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine

10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine (PubChem CID 59195702) has the molecular formula C35H27N and a molecular weight of 461.61 g/mol. Its IUPAC name is 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine.

Molecular Properties

Compound Name10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine
PubChem CID59195702
Molecular FormulaC35H27N
Molecular Weight461.61 g/mol
Exact Mass461.21
IUPAC Name10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine
SMILESCc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)N(C)c3ccccc3C4)c2c1
InChIInChI=1S/C35H27N/c1-23-16-19-30-31(20-23)35(29-14-8-7-13-28(29)34(30)24-10-4-3-5-11-24)27-18-17-26-21-25-12-6-9-15-32(25)36(2)33(26)22-27/h3-20,22H,21H2,1-2H3
InChIKeyCYIFJZFEXJLQGF-UHFFFAOYSA-N
XLogP9.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
CID 59195172
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073
10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
CID 59219557
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
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
CID 59195977
5,10-dimethyl-2-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenazine
CID 59196635
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2,9-dimethyl-10-phenylanthracene
CID 58435289

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine?
The IUPAC name of 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine (CID 59195702) is 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine.
What is the SMILES notation for 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine?
The canonical SMILES for 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine is Cc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)N(C)c3ccccc3C4)c2c1.
What is the InChIKey of 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine?
The InChIKey is CYIFJZFEXJLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N/c1-23-16-19-30-31(20-23)35(29-14-8-7-13-28(29)34(30)24-10-4-3-5-11-24)27-18-17-26-21-25-12-6-9-15-32(25)36(2)33(26)22-27/h3-20,22H,21H2,1-2H3.
What are the key properties of 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine?
10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine has a molecular weight of 461.61 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(2-methyl-10-phenylanthracen-9-yl)-9H-acridine is sourced from PubChem (CID 59195702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).