10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine

C51H37NS — CID 71003882

IUPAC10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C51H37NS/c1-51(2)45-32-40(34-13-5-3-6-14-34)23-26-47(45)52(48-27-24-41(33-46(48)51)35-15-7-4-8-16-35)42-20-12-19-38(30-42)36-17-11-18-37(29-36)39-25-28-50-44(31-39)43-21-9-10-22-49(43)53-50/h3-33H,1-2H3
InChIKeyNYZKSILPIVAMHE-UHFFFAOYSA-N
MW695.93 g/mol
LogP14.83
Rot. Bonds5

About 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine

10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine (PubChem CID 71003882) has the molecular formula C51H37NS and a molecular weight of 695.93 g/mol. Its IUPAC name is 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine.

Molecular Properties

Compound Name10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
PubChem CID71003882
Molecular FormulaC51H37NS
Molecular Weight695.93 g/mol
Exact Mass695.26
IUPAC Name10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C51H37NS/c1-51(2)45-32-40(34-13-5-3-6-14-34)23-26-47(45)52(48-27-24-41(33-46(48)51)35-15-7-4-8-16-35)42-20-12-19-38(30-42)36-17-11-18-37(29-36)39-25-28-50-44(31-39)43-21-9-10-22-49(43)53-50/h3-33H,1-2H3
InChIKeyNYZKSILPIVAMHE-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.93
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine 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

2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 148941843
18-(9-dibenzothiophen-2-ylcarbazol-3-yl)-10,10,21,21-tetramethyl-14-(4-phenylphenyl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118346997
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
13-(3-dibenzothiophen-1-ylphenyl)-17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 139568110
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
CID 155791078
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine?
The IUPAC name of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine (CID 71003882) is 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine.
What is the SMILES notation for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine?
The canonical SMILES for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine?
The InChIKey is NYZKSILPIVAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS/c1-51(2)45-32-40(34-13-5-3-6-14-34)23-26-47(45)52(48-27-24-41(33-46(48)51)35-15-7-4-8-16-35)42-20-12-19-38(30-42)36-17-11-18-37(29-36)39-25-28-50-44(31-39)43-21-9-10-22-49(43)53-50/h3-33H,1-2H3.
What are the key properties of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine?
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine has a molecular weight of 695.93 g/mol, XLogP of 14.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine is sourced from PubChem (CID 71003882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).