10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine

C77H56N2S — CID 164756657

IUPAC10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc(C(c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)ccc2N(c2ccc3sc4ccccc4c3c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C77H56N2S/c1-75(2)67-50-60(77(56-31-15-6-16-32-56,57-33-17-7-18-34-57)58-35-19-8-20-36-58)42-46-71(67)79(61-44-48-74-66(51-61)64-38-22-24-40-73(64)80-74)72-47-43-62(52-68(72)75)78-69-39-23-21-37-63(69)65-49-59(41-45-70(65)78)76(53-25-9-3-10-26-53,54-27-11-4-12-28-54)55-29-13-5-14-30-55/h3-52H,1-2H3
InChIKeyUWKWHPWIXXGLLH-UHFFFAOYSA-N
MW1041.38 g/mol
LogP20.03
Rot. Bonds10

About 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine

10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine (PubChem CID 164756657) has the molecular formula C77H56N2S and a molecular weight of 1041.38 g/mol. Its IUPAC name is 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine.

Molecular Properties

Compound Name10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine
PubChem CID164756657
Molecular FormulaC77H56N2S
Molecular Weight1041.38 g/mol
Exact Mass1040.42
IUPAC Name10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc(C(c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)ccc2N(c2ccc3sc4ccccc4c3c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C77H56N2S/c1-75(2)67-50-60(77(56-31-15-6-16-32-56,57-33-17-7-18-34-57)58-35-19-8-20-36-58)42-46-71(67)79(61-44-48-74-66(51-61)64-38-22-24-40-73(64)80-74)72-47-43-62(52-68(72)75)78-69-39-23-21-37-63(69)65-49-59(41-45-70(65)78)76(53-25-9-3-10-26-53,54-27-11-4-12-28-54)55-29-13-5-14-30-55/h3-52H,1-2H3
InChIKeyUWKWHPWIXXGLLH-UHFFFAOYSA-N
XLogP20.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.38
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
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
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
8-(4-tert-butylphenyl)-13,13-dimethyl-11-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]acridine
CID 144612779
2,7-ditert-butyl-10-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-2-yl]-9,9-dimethylacridine
CID 58384126
25-carbazol-9-yl-22-dibenzothiophen-2-yl-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 90222706
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
CID 163667947
9,9-dimethyl-10-(2,3,4,5,6-pentadeuteriophenyl)-2-[2-[phenyl-bis(3-phenylphenyl)methyl]carbazol-9-yl]acridine
CID 164756663
9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
CID 58501473
10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213523

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine?
The IUPAC name of 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine (CID 164756657) is 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine.
What is the SMILES notation for 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine?
The canonical SMILES for 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine is CC1(C)c2cc(-n3c4ccccc4c4cc(C(c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)ccc2N(c2ccc3sc4ccccc4c3c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine?
The InChIKey is UWKWHPWIXXGLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56N2S/c1-75(2)67-50-60(77(56-31-15-6-16-32-56,57-33-17-7-18-34-57)58-35-19-8-20-36-58)42-46-71(67)79(61-44-48-74-66(51-61)64-38-22-24-40-73(64)80-74)72-47-43-62(52-68(72)75)78-69-39-23-21-37-63(69)65-49-59(41-45-70(65)78)76(53-25-9-3-10-26-53,54-27-11-4-12-28-54)55-29-13-5-14-30-55/h3-52H,1-2H3.
What are the key properties of 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine?
10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine has a molecular weight of 1041.38 g/mol, XLogP of 20.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine is sourced from PubChem (CID 164756657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).