2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine

C57H40N4 — CID 137469791

IUPAC2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C57H40N4/c1-57(2)46-34-38(58-48-26-12-6-20-40(48)41-21-7-13-27-49(41)58)32-33-54(46)60(37-18-4-3-5-19-37)56-47(57)35-39(59-50-28-14-8-22-42(50)43-23-9-15-29-51(43)59)36-55(56)61-52-30-16-10-24-44(52)45-25-11-17-31-53(45)61/h3-36H,1-2H3
InChIKeyPWFUYOLRTWHKHG-UHFFFAOYSA-N
MW780.98 g/mol
LogP15.09
Rot. Bonds4

About 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine

2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine (PubChem CID 137469791) has the molecular formula C57H40N4 and a molecular weight of 780.98 g/mol. Its IUPAC name is 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
PubChem CID137469791
Molecular FormulaC57H40N4
Molecular Weight780.98 g/mol
Exact Mass780.33
IUPAC Name2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C57H40N4/c1-57(2)46-34-38(58-48-26-12-6-20-40(48)41-21-7-13-27-49(41)58)32-33-54(46)60(37-18-4-3-5-19-37)56-47(57)35-39(59-50-28-14-8-22-42(50)43-23-9-15-29-51(43)59)36-55(56)61-52-30-16-10-24-44(52)45-25-11-17-31-53(45)61/h3-36H,1-2H3
InChIKeyPWFUYOLRTWHKHG-UHFFFAOYSA-N
XLogP15.09
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.98
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599593
5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 89125205
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330373
2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
CID 134237381
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
5-carbazol-9-yl-14,14,22,22-tetramethyl-8-phenyl-1-aza-8-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
CID 155605529

Frequently Asked Questions

What is the IUPAC name of 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine (CID 137469791) is 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine?
The InChIKey is PWFUYOLRTWHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4/c1-57(2)46-34-38(58-48-26-12-6-20-40(48)41-21-7-13-27-49(41)58)32-33-54(46)60(37-18-4-3-5-19-37)56-47(57)35-39(59-50-28-14-8-22-42(50)43-23-9-15-29-51(43)59)36-55(56)61-52-30-16-10-24-44(52)45-25-11-17-31-53(45)61/h3-36H,1-2H3.
What are the key properties of 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine?
2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine has a molecular weight of 780.98 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 137469791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).