9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole

C60H53FN2O2 — CID 71155956

IUPAC9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole
SMILESCc1c(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C(C)F)cc(-n3c4ccccc4c4ccccc43)c2C)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H53FN2O2/c1-39-45(27-18-32-53(39)62-54-28-12-6-21-46(54)47-22-7-13-29-55(47)62)50-25-10-16-33-59(50)64-37-42-19-4-5-20-43(42)38-65-60-34-17-11-26-51(60)52-35-44(41(3)61)36-58(40(52)2)63-56-30-14-8-23-48(56)49-24-9-15-31-57(49)63/h6-18,21-36,41-43H,4-5,19-20,37-38H2,1-3H3
InChIKeyXARRUUNVYJKVQZ-UHFFFAOYSA-N
MW853.09 g/mol
LogP16.13
Rot. Bonds11

About 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole

9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole (PubChem CID 71155956) has the molecular formula C60H53FN2O2 and a molecular weight of 853.09 g/mol. Its IUPAC name is 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole
PubChem CID71155956
Molecular FormulaC60H53FN2O2
Molecular Weight853.09 g/mol
Exact Mass852.41
IUPAC Name9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole
SMILESCc1c(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C(C)F)cc(-n3c4ccccc4c4ccccc43)c2C)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H53FN2O2/c1-39-45(27-18-32-53(39)62-54-28-12-6-21-46(54)47-22-7-13-29-55(47)62)50-25-10-16-33-59(50)64-37-42-19-4-5-20-43(42)38-65-60-34-17-11-26-51(60)52-35-44(41(3)61)36-58(40(52)2)63-56-30-14-8-23-48(56)49-24-9-15-31-57(49)63/h6-18,21-36,41-43H,4-5,19-20,37-38H2,1-3H3
InChIKeyXARRUUNVYJKVQZ-UHFFFAOYSA-N
XLogP16.13
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.09
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole?
The IUPAC name of 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole (CID 71155956) is 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole.
What is the SMILES notation for 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole?
The canonical SMILES for 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole is Cc1c(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C(C)F)cc(-n3c4ccccc4c4ccccc43)c2C)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole?
The InChIKey is XARRUUNVYJKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53FN2O2/c1-39-45(27-18-32-53(39)62-54-28-12-6-21-46(54)47-22-7-13-29-55(47)62)50-25-10-16-33-59(50)64-37-42-19-4-5-20-43(42)38-65-60-34-17-11-26-51(60)52-35-44(41(3)61)36-58(40(52)2)63-56-30-14-8-23-48(56)49-24-9-15-31-57(49)63/h6-18,21-36,41-43H,4-5,19-20,37-38H2,1-3H3.
What are the key properties of 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole?
9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole has a molecular weight of 853.09 g/mol, XLogP of 16.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[[2-[[2-[3-carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole is sourced from PubChem (CID 71155956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).