2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine

C51H36N2S — CID 70936057

IUPAC2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C51H36N2S/c1-51(2)43-16-8-10-18-47(43)53(37-12-4-3-5-13-37)48-28-23-36(32-44(48)51)35-22-27-46-41(30-35)39-14-6-9-17-45(39)52(46)38-25-20-33(21-26-38)34-24-29-50-42(31-34)40-15-7-11-19-49(40)54-50/h3-32H,1-2H3
InChIKeyUMCLCZOHWPJDLJ-UHFFFAOYSA-N
MW708.93 g/mol
LogP14.59
Rot. Bonds4

About 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine

2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 70936057) has the molecular formula C51H36N2S and a molecular weight of 708.93 g/mol. Its IUPAC name is 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
PubChem CID70936057
Molecular FormulaC51H36N2S
Molecular Weight708.93 g/mol
Exact Mass708.26
IUPAC Name2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C51H36N2S/c1-51(2)43-16-8-10-18-47(43)53(37-12-4-3-5-13-37)48-28-23-36(32-44(48)51)35-22-27-46-41(30-35)39-14-6-9-17-45(39)52(46)38-25-20-33(21-26-38)34-24-29-50-42(31-34)40-15-7-11-19-49(40)54-50/h3-32H,1-2H3
InChIKeyUMCLCZOHWPJDLJ-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.93
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
8-(4-tert-butylphenyl)-13,13-dimethyl-11-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]acridine
CID 144612779
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
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
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-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 67326458
5-[2-(4-dibenzothiophen-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592258
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine (CID 70936057) is 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21.
What is the InChIKey of 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine?
The InChIKey is UMCLCZOHWPJDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2S/c1-51(2)43-16-8-10-18-47(43)53(37-12-4-3-5-13-37)48-28-23-36(32-44(48)51)35-22-27-46-41(30-35)39-14-6-9-17-45(39)52(46)38-25-20-33(21-26-38)34-24-29-50-42(31-34)40-15-7-11-19-49(40)54-50/h3-32H,1-2H3.
What are the key properties of 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine?
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 708.93 g/mol, XLogP of 14.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 70936057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).