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

C52H26F12N4 — CID 59357152

IUPAC9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cccnc3)c2c1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)29-5-13-43-37(19-29)38-20-30(50(56,57)58)6-14-44(38)67(43)33-10-12-36-41(23-33)47(27-3-1-17-65-25-27)35-11-9-34(24-42(35)48(36)28-4-2-18-66-26-28)68-45-15-7-31(51(59,60)61)21-39(45)40-22-32(52(62,63)64)8-16-46(40)68/h1-26H
InChIKeyWMHLDHWINWFUGY-UHFFFAOYSA-N
MW934.78 g/mol
LogP16.39
Rot. Bonds4

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

9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 59357152) has the molecular formula C52H26F12N4 and a molecular weight of 934.78 g/mol. Its IUPAC name is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID59357152
Molecular FormulaC52H26F12N4
Molecular Weight934.78 g/mol
Exact Mass934.20
IUPAC Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cccnc3)c2c1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)29-5-13-43-37(19-29)38-20-30(50(56,57)58)6-14-44(38)67(43)33-10-12-36-41(23-33)47(27-3-1-17-65-25-27)35-11-9-34(24-42(35)48(36)28-4-2-18-66-26-28)68-45-15-7-31(51(59,60)61)21-39(45)40-22-32(52(62,63)64)8-16-46(40)68/h1-26H
InChIKeyWMHLDHWINWFUGY-UHFFFAOYSA-N
XLogP16.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.78
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 59357152) is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cccnc3)c2c1.
What is the InChIKey of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is WMHLDHWINWFUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26F12N4/c53-49(54,55)29-5-13-43-37(19-29)38-20-30(50(56,57)58)6-14-44(38)67(43)33-10-12-36-41(23-33)47(27-3-1-17-65-25-27)35-11-9-34(24-42(35)48(36)28-4-2-18-66-26-28)68-45-15-7-31(51(59,60)61)21-39(45)40-22-32(52(62,63)64)8-16-46(40)68/h1-26H.
What are the key properties of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 934.78 g/mol, XLogP of 16.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 59357152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).