9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene

C159H118F3NO — CID 158924372

IUPAC9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6nc6ccccc56)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.COc1ccc(-c2c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)cc1
InChIInChI=1S/C57H41N.C51H37F3.C51H40O/c1-56(2)47-24-12-8-19-41(47)53-44(22-15-25-48(53)56)52-38-17-5-6-18-39(38)54(55-42-20-9-13-26-50(42)58-51-27-14-10-21-43(51)55)40-31-29-34(32-45(40)52)35-28-30-37-36-16-7-11-23-46(36)57(3,4)49(37)33-35;1-49(2)43-18-10-8-15-39(43)48-40(16-11-19-44(48)49)47-37-14-6-5-13-36(37)46(30-20-24-33(25-21-30)51(52,53)54)38-27-23-31(28-41(38)47)32-22-26-35-34-12-7-9-17-42(34)50(3,4)45(35)29-32;1-50(2)44-19-11-9-16-40(44)49-41(17-12-20-45(49)50)48-38-15-7-6-14-37(38)47(31-21-25-34(52-5)26-22-31)39-28-24-32(29-42(39)48)33-23-27-36-35-13-8-10-18-43(35)51(3,4)46(36)30-33/h5-33H,1-4H3;5-29H,1-4H3;6-30H,1-5H3
InChIKeyJIFZESVBDCDFKI-UHFFFAOYSA-N
MW2115.69 g/mol
LogP43.55
Rot. Bonds10

About 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene

9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 158924372) has the molecular formula C159H118F3NO and a molecular weight of 2115.69 g/mol. Its IUPAC name is 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID158924372
Molecular FormulaC159H118F3NO
Molecular Weight2115.69 g/mol
Exact Mass2113.92
IUPAC Name9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6nc6ccccc56)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.COc1ccc(-c2c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)cc1
InChIInChI=1S/C57H41N.C51H37F3.C51H40O/c1-56(2)47-24-12-8-19-41(47)53-44(22-15-25-48(53)56)52-38-17-5-6-18-39(38)54(55-42-20-9-13-26-50(42)58-51-27-14-10-21-43(51)55)40-31-29-34(32-45(40)52)35-28-30-37-36-16-7-11-23-46(36)57(3,4)49(37)33-35;1-49(2)43-18-10-8-15-39(43)48-40(16-11-19-44(48)49)47-37-14-6-5-13-36(37)46(30-20-24-33(25-21-30)51(52,53)54)38-27-23-31(28-41(38)47)32-22-26-35-34-12-7-9-17-42(34)50(3,4)45(35)29-32;1-50(2)44-19-11-9-16-40(44)49-41(17-12-20-45(49)50)48-38-15-7-6-14-37(38)47(31-21-25-34(52-5)26-22-31)39-28-24-32(29-42(39)48)33-23-27-36-35-13-8-10-18-43(35)51(3,4)46(36)30-33/h5-33H,1-4H3;5-29H,1-4H3;6-30H,1-5H3
InChIKeyJIFZESVBDCDFKI-UHFFFAOYSA-N
XLogP43.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002115.69
LogP ≤ 543.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene with MolForge

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Related Compounds

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6-(3-Methoxyphenyl)benzo[k]phenanthridine
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(E)-5-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-1-hydroxypent-3-en-2-one;iridium(3+);2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;[(Z)-3-phenyl-1-[4-phenyl-3-(1,1,1-trifluoropropan-2-yl)benzene-6-id-1-yl]prop-2-enylidene]azanide;hydrate
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1-[4-[3-[16,19,19,22,22,25,25,28-Octamethyl-16,28-bis(trifluoromethyl)-13-undecacyclo[21.18.0.02,21.05,20.06,18.09,17.010,15.024,39.026,38.027,35.029,34]hentetraconta-1(23),2(21),3,5(20),6(18),7,9(17),10(15),11,13,24(39),26(38),27(35),29,31,33,36,40-octadecaenyl]-5-[16,19,22,25,28-pentamethyl-16,19,22,25,28-pentakis(trifluoromethyl)-13-undecacyclo[21.18.0.02,21.05,20.06,18.09,17.010,15.024,39.026,38.027,35.029,34]hentetraconta-1(23),2(21),3,5(20),6(18),7,9(17),10(15),11,13,24(39),26(38),27(35),29,31,33,36,40-octadecaenyl]phenoxy]phenyl]isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene (CID 158924372) is 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6nc6ccccc56)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.COc1ccc(-c2c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)cc1.
What is the InChIKey of 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is JIFZESVBDCDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N.C51H37F3.C51H40O/c1-56(2)47-24-12-8-19-41(47)53-44(22-15-25-48(53)56)52-38-17-5-6-18-39(38)54(55-42-20-9-13-26-50(42)58-51-27-14-10-21-43(51)55)40-31-29-34(32-45(40)52)35-28-30-37-36-16-7-11-23-46(36)57(3,4)49(37)33-35;1-49(2)43-18-10-8-15-39(43)48-40(16-11-19-44(48)49)47-37-14-6-5-13-36(37)46(30-20-24-33(25-21-30)51(52,53)54)38-27-23-31(28-41(38)47)32-22-26-35-34-12-7-9-17-42(34)50(3,4)45(35)29-32;1-50(2)44-19-11-9-16-40(44)49-41(17-12-20-45(49)50)48-38-15-7-6-14-37(38)47(31-21-25-34(52-5)26-22-31)39-28-24-32(29-42(39)48)33-23-27-36-35-13-8-10-18-43(35)51(3,4)46(36)30-33/h5-33H,1-4H3;5-29H,1-4H3;6-30H,1-5H3.
What are the key properties of 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 2115.69 g/mol, XLogP of 43.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]acridine;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(4-methoxyphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 158924372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).