9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

C74H40F12N6 — CID 59357264

IUPAC9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1
InChIInChI=1S/C74H40F12N6/c75-71(76,77)47-13-21-65-55(35-47)56-36-48(72(78,79)80)14-22-66(56)91(65)51-18-20-54-59(39-51)69(45-31-41(61-9-1-5-25-87-61)29-42(32-45)62-10-2-6-26-88-62)53-19-17-52(92-67-23-15-49(73(81,82)83)37-57(67)58-38-50(74(84,85)86)16-24-68(58)92)40-60(53)70(54)46-33-43(63-11-3-7-27-89-63)30-44(34-46)64-12-4-8-28-90-64/h1-40H
InChIKeyIEJYWIURXGGXCZ-UHFFFAOYSA-N
MW1241.15 g/mol
LogP21.84
Rot. Bonds8

About 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 59357264) has the molecular formula C74H40F12N6 and a molecular weight of 1241.15 g/mol. Its IUPAC name is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID59357264
Molecular FormulaC74H40F12N6
Molecular Weight1241.15 g/mol
Exact Mass1240.31
IUPAC Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1
InChIInChI=1S/C74H40F12N6/c75-71(76,77)47-13-21-65-55(35-47)56-36-48(72(78,79)80)14-22-66(56)91(65)51-18-20-54-59(39-51)69(45-31-41(61-9-1-5-25-87-61)29-42(32-45)62-10-2-6-26-88-62)53-19-17-52(92-67-23-15-49(73(81,82)83)37-57(67)58-38-50(74(84,85)86)16-24-68(58)92)40-60(53)70(54)46-33-43(63-11-3-7-27-89-63)30-44(34-46)64-12-4-8-28-90-64/h1-40H
InChIKeyIEJYWIURXGGXCZ-UHFFFAOYSA-N
XLogP21.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.15
LogP ≤ 521.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 59357264) is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1.
What is the InChIKey of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is IEJYWIURXGGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H40F12N6/c75-71(76,77)47-13-21-65-55(35-47)56-36-48(72(78,79)80)14-22-66(56)91(65)51-18-20-54-59(39-51)69(45-31-41(61-9-1-5-25-87-61)29-42(32-45)62-10-2-6-26-88-62)53-19-17-52(92-67-23-15-49(73(81,82)83)37-57(67)58-38-50(74(84,85)86)16-24-68(58)92)40-60(53)70(54)46-33-43(63-11-3-7-27-89-63)30-44(34-46)64-12-4-8-28-90-64/h1-40H.
What are the key properties of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1241.15 g/mol, XLogP of 21.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 59357264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).