9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene

C165H119F3N2 — CID 157159884

IUPAC9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6cc6ccncc56)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6nc6ccccc56)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21
InChIInChI=1S/2C57H41N.C51H37F3/c1-56(2)47-21-11-7-15-37(47)39-28-25-35(32-49(39)56)34-26-30-43-46(31-34)53(36-27-29-40-38-16-8-12-22-48(38)57(3,4)50(40)33-36)41-17-5-6-18-42(41)54(43)55-44-19-9-13-23-51(44)58-52-24-14-10-20-45(52)55;1-56(2)49-19-11-9-15-40(49)42-24-21-35(31-51(42)56)34-22-26-46-47(30-34)53(38-23-25-43-41-16-10-12-20-50(41)57(3,4)52(43)32-38)44-17-7-8-18-45(44)55(46)54-39-14-6-5-13-36(39)29-37-27-28-58-33-48(37)54;1-49(2)43-15-9-7-11-35(43)37-24-19-32(28-45(37)49)31-20-26-41-42(27-31)48(33-21-25-38-36-12-8-10-16-44(36)50(3,4)46(38)29-33)40-14-6-5-13-39(40)47(41)30-17-22-34(23-18-30)51(52,53)54/h2*5-33H,1-4H3;5-29H,1-4H3
InChIKeyAMFZTIDTSCCWBJ-UHFFFAOYSA-N
MW2186.77 g/mol
LogP45.24
Rot. Bonds9

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

9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 157159884) has the molecular formula C165H119F3N2 and a molecular weight of 2186.77 g/mol. Its IUPAC name is 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID157159884
Molecular FormulaC165H119F3N2
Molecular Weight2186.77 g/mol
Exact Mass2184.93
IUPAC Name9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6cc6ccncc56)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6nc6ccccc56)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21
InChIInChI=1S/2C57H41N.C51H37F3/c1-56(2)47-21-11-7-15-37(47)39-28-25-35(32-49(39)56)34-26-30-43-46(31-34)53(36-27-29-40-38-16-8-12-22-48(38)57(3,4)50(40)33-36)41-17-5-6-18-42(41)54(43)55-44-19-9-13-23-51(44)58-52-24-14-10-20-45(52)55;1-56(2)49-19-11-9-15-40(49)42-24-21-35(31-51(42)56)34-22-26-46-47(30-34)53(38-23-25-43-41-16-10-12-20-50(41)57(3,4)52(43)32-38)44-17-7-8-18-45(44)55(46)54-39-14-6-5-13-36(39)29-37-27-28-58-33-48(37)54;1-49(2)43-15-9-7-11-35(43)37-24-19-32(28-45(37)49)31-20-26-41-42(27-31)48(33-21-25-38-36-12-8-10-16-44(36)50(3,4)46(38)29-33)40-14-6-5-13-39(40)47(41)30-17-22-34(23-18-30)51(52,53)54/h2*5-33H,1-4H3;5-29H,1-4H3
InChIKeyAMFZTIDTSCCWBJ-UHFFFAOYSA-N
XLogP45.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002186.77
LogP ≤ 545.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene (CID 157159884) is 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6cc6ccncc56)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5c6ccccc6nc6ccccc56)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.
What is the InChIKey of 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is AMFZTIDTSCCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H41N.C51H37F3/c1-56(2)47-21-11-7-15-37(47)39-28-25-35(32-49(39)56)34-26-30-43-46(31-34)53(36-27-29-40-38-16-8-12-22-48(38)57(3,4)50(40)33-36)41-17-5-6-18-42(41)54(43)55-44-19-9-13-23-51(44)58-52-24-14-10-20-45(52)55;1-56(2)49-19-11-9-15-40(49)42-24-21-35(31-51(42)56)34-22-26-46-47(30-34)53(38-23-25-43-41-16-10-12-20-50(41)57(3,4)52(43)32-38)44-17-7-8-18-45(44)55(46)54-39-14-6-5-13-36(39)29-37-27-28-58-33-48(37)54;1-49(2)43-15-9-7-11-35(43)37-24-19-32(28-45(37)49)31-20-26-41-42(27-31)48(33-21-25-38-36-12-8-10-16-44(36)50(3,4)46(38)29-33)40-14-6-5-13-39(40)47(41)30-17-22-34(23-18-30)51(52,53)54/h2*5-33H,1-4H3;5-29H,1-4H3.
What are the key properties of 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 2186.77 g/mol, XLogP of 45.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]acridine;10-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]benzo[g]isoquinoline;2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 157159884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).