5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C71H43F6N3O2 — CID 139552797

IUPAC5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cccc(C(F)(F)F)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-54-29-11-3-21-44(54)45-22-4-12-30-55(45)80)66-62(40-17-15-19-42(37-40)70(72,73)74)58(78-52-27-9-5-25-50(52)64-56(78)35-33-48-46-23-7-13-31-60(46)81-67(48)64)39-59(63(66)41-18-16-20-43(38-41)71(75,76)77)79-53-28-10-6-26-51(53)65-57(79)36-34-49-47-24-8-14-32-61(47)82-68(49)65/h3-39H,1-2H3
InChIKeyOGWYARIXYXJMFM-UHFFFAOYSA-N
MW1084.13 g/mol
LogP20.94
Rot. Bonds6

About 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139552797) has the molecular formula C71H43F6N3O2 and a molecular weight of 1084.13 g/mol. Its IUPAC name is 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID139552797
Molecular FormulaC71H43F6N3O2
Molecular Weight1084.13 g/mol
Exact Mass1083.33
IUPAC Name5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cccc(C(F)(F)F)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-54-29-11-3-21-44(54)45-22-4-12-30-55(45)80)66-62(40-17-15-19-42(37-40)70(72,73)74)58(78-52-27-9-5-25-50(52)64-56(78)35-33-48-46-23-7-13-31-60(46)81-67(48)64)39-59(63(66)41-18-16-20-43(38-41)71(75,76)77)79-53-28-10-6-26-51(53)65-57(79)36-34-49-47-24-8-14-32-61(47)82-68(49)65/h3-39H,1-2H3
InChIKeyOGWYARIXYXJMFM-UHFFFAOYSA-N
XLogP20.94
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.13
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 139552797) is 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(c1c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cccc(C(F)(F)F)c1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is OGWYARIXYXJMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43F6N3O2/c1-69(2,80-54-29-11-3-21-44(54)45-22-4-12-30-55(45)80)66-62(40-17-15-19-42(37-40)70(72,73)74)58(78-52-27-9-5-25-50(52)64-56(78)35-33-48-46-23-7-13-31-60(46)81-67(48)64)39-59(63(66)41-18-16-20-43(38-41)71(75,76)77)79-53-28-10-6-26-51(53)65-57(79)36-34-49-47-24-8-14-32-61(47)82-68(49)65/h3-39H,1-2H3.
What are the key properties of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1084.13 g/mol, XLogP of 20.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139552797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).