5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C71H43F6N3O2 — CID 139552827

IUPAC5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cccc(C(F)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-56-29-11-3-21-44(56)45-22-4-12-30-57(45)80)64-65(78-54-27-9-5-25-50(54)62-58(78)35-33-48-46-23-7-13-31-60(46)81-67(48)62)52(40-17-15-19-42(37-40)70(72,73)74)39-53(41-18-16-20-43(38-41)71(75,76)77)66(64)79-55-28-10-6-26-51(55)63-59(79)36-34-49-47-24-8-14-32-61(47)82-68(49)63/h3-39H,1-2H3
InChIKeyHDUWSVQNKHZDOJ-UHFFFAOYSA-N
MW1084.13 g/mol
LogP20.94
Rot. Bonds6

About 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139552827) has the molecular formula C71H43F6N3O2 and a molecular weight of 1084.13 g/mol. Its IUPAC name is 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID139552827
Molecular FormulaC71H43F6N3O2
Molecular Weight1084.13 g/mol
Exact Mass1083.33
IUPAC Name5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cccc(C(F)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-56-29-11-3-21-44(56)45-22-4-12-30-57(45)80)64-65(78-54-27-9-5-25-50(54)62-58(78)35-33-48-46-23-7-13-31-60(46)81-67(48)62)52(40-17-15-19-42(37-40)70(72,73)74)39-53(41-18-16-20-43(38-41)71(75,76)77)66(64)79-55-28-10-6-26-51(55)63-59(79)36-34-49-47-24-8-14-32-61(47)82-68(49)63/h3-39H,1-2H3
InChIKeyHDUWSVQNKHZDOJ-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-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-5-(2-cyanophenyl)phenyl]benzonitrile
CID 139553006
5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 165061618
3-[4,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)phenyl]benzonitrile
CID 139552689
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554643
5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140794299
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 160969455
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 139526210
24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 146280481
5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159237825
5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146281129

Frequently Asked Questions

What is the IUPAC name of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 139552827) is 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cccc(C(F)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HDUWSVQNKHZDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43F6N3O2/c1-69(2,80-56-29-11-3-21-44(56)45-22-4-12-30-57(45)80)64-65(78-54-27-9-5-25-50(54)62-58(78)35-33-48-46-23-7-13-31-60(46)81-67(48)62)52(40-17-15-19-42(37-40)70(72,73)74)39-53(41-18-16-20-43(38-41)71(75,76)77)66(64)79-55-28-10-6-26-51(55)63-59(79)36-34-49-47-24-8-14-32-61(47)82-68(49)63/h3-39H,1-2H3.
What are the key properties of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-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-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139552827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).