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

C69H43F2N3O2 — CID 139553624

IUPAC5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cccc(F)c2)cc(-c2cccc(F)c2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3O2/c1-69(2,74-56-29-11-3-21-44(56)45-22-4-12-30-57(45)74)64-65(72-54-27-9-5-25-50(54)62-58(72)35-33-48-46-23-7-13-31-60(46)75-67(48)62)52(40-17-15-19-42(70)37-40)39-53(41-18-16-20-43(71)38-41)66(64)73-55-28-10-6-26-51(55)63-59(73)36-34-49-47-24-8-14-32-61(47)76-68(49)63/h3-39H,1-2H3
InChIKeyXDTPUPFBBHPLDM-UHFFFAOYSA-N
MW984.12 g/mol
LogP19.18
Rot. Bonds6

About 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139553624) has the molecular formula C69H43F2N3O2 and a molecular weight of 984.12 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-fluorophenyl)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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID139553624
Molecular FormulaC69H43F2N3O2
Molecular Weight984.12 g/mol
Exact Mass983.33
IUPAC Name5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cccc(F)c2)cc(-c2cccc(F)c2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3O2/c1-69(2,74-56-29-11-3-21-44(56)45-22-4-12-30-57(45)74)64-65(72-54-27-9-5-25-50(54)62-58(72)35-33-48-46-23-7-13-31-60(46)75-67(48)62)52(40-17-15-19-42(70)37-40)39-53(41-18-16-20-43(71)38-41)66(64)73-55-28-10-6-26-51(55)63-59(73)36-34-49-47-24-8-14-32-61(47)76-68(49)63/h3-39H,1-2H3
InChIKeyXDTPUPFBBHPLDM-UHFFFAOYSA-N
XLogP19.18
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.12
LogP ≤ 519.18
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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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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-fluorophenyl)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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 139553624) is 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cccc(F)c2)cc(-c2cccc(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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is XDTPUPFBBHPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3O2/c1-69(2,74-56-29-11-3-21-44(56)45-22-4-12-30-57(45)74)64-65(72-54-27-9-5-25-50(54)62-58(72)35-33-48-46-23-7-13-31-60(46)75-67(48)62)52(40-17-15-19-42(70)37-40)39-53(41-18-16-20-43(71)38-41)66(64)73-55-28-10-6-26-51(55)63-59(73)36-34-49-47-24-8-14-32-61(47)76-68(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-fluorophenyl)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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 984.12 g/mol, XLogP of 19.18, 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-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139553624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).