2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine

C61H41NS — CID 71003881

IUPAC2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
SMILESc1ccc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cc(-c5cccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)c5)ccc43)cc2)cc1
InChIInChI=1S/C61H41NS/c1-4-16-42(17-5-1)43-30-34-52(35-31-43)62-57-28-12-11-27-55(57)61(50-22-6-2-7-23-50,51-24-8-3-9-25-51)56-41-49(32-36-58(56)62)47-21-15-19-45(39-47)44-18-14-20-46(38-44)48-33-37-60-54(40-48)53-26-10-13-29-59(53)63-60/h1-41H
InChIKeyTYCWFTVXJKLQSK-UHFFFAOYSA-N
MW820.07 g/mol
LogP16.89
Rot. Bonds7

About 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine

2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine (PubChem CID 71003881) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
PubChem CID71003881
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC Name2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
SMILESc1ccc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cc(-c5cccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)c5)ccc43)cc2)cc1
InChIInChI=1S/C61H41NS/c1-4-16-42(17-5-1)43-30-34-52(35-31-43)62-57-28-12-11-27-55(57)61(50-22-6-2-7-23-50,51-24-8-3-9-25-51)56-41-49(32-36-58(56)62)47-21-15-19-45(39-47)44-18-14-20-46(38-44)48-33-37-60-54(40-48)53-26-10-13-29-59(53)63-60/h1-41H
InChIKeyTYCWFTVXJKLQSK-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine with MolForge

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Related Compounds

10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139353933
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
10'-(4-dibenzothiophen-4-ylphenyl)-2-methyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670463

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine (CID 71003881) is 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine is c1ccc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cc(-c5cccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)c5)ccc43)cc2)cc1.
What is the InChIKey of 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The InChIKey is TYCWFTVXJKLQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-4-16-42(17-5-1)43-30-34-52(35-31-43)62-57-28-12-11-27-55(57)61(50-22-6-2-7-23-50,51-24-8-3-9-25-51)56-41-49(32-36-58(56)62)47-21-15-19-45(39-47)44-18-14-20-46(38-44)48-33-37-60-54(40-48)53-26-10-13-29-59(53)63-60/h1-41H.
What are the key properties of 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine?
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine has a molecular weight of 820.07 g/mol, XLogP of 16.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 71003881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).