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

C87H58F6N4O2 — CID 139553146

IUPAC5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(Cn2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C87H58F6N4O2/c1-84(2,96-67-39-19-7-25-50(67)51-26-8-20-40-68(51)96)79-62(49-94-65-37-17-11-33-60(65)76-71(94)47-45-56-54-29-13-23-43-73(54)98-82(56)76)75(58-31-5-15-35-63(58)86(88,89)90)80(85(3,4)97-69-41-21-9-27-52(69)53-28-10-22-42-70(53)97)78(59-32-6-16-36-64(59)87(91,92)93)81(79)95-66-38-18-12-34-61(66)77-72(95)48-46-57-55-30-14-24-44-74(55)99-83(57)77/h5-48H,49H2,1-4H3
InChIKeyYQMJLAFSPYFNLI-UHFFFAOYSA-N
MW1305.44 g/mol
LogP24.89
Rot. Bonds9

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

5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139553146) has the molecular formula C87H58F6N4O2 and a molecular weight of 1305.44 g/mol. Its IUPAC name is 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID139553146
Molecular FormulaC87H58F6N4O2
Molecular Weight1305.44 g/mol
Exact Mass1304.45
IUPAC Name5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(Cn2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C87H58F6N4O2/c1-84(2,96-67-39-19-7-25-50(67)51-26-8-20-40-68(51)96)79-62(49-94-65-37-17-11-33-60(65)76-71(94)47-45-56-54-29-13-23-43-73(54)98-82(56)76)75(58-31-5-15-35-63(58)86(88,89)90)80(85(3,4)97-69-41-21-9-27-52(69)53-28-10-22-42-70(53)97)78(59-32-6-16-36-64(59)87(91,92)93)81(79)95-66-38-18-12-34-61(66)77-72(95)48-46-57-55-30-14-24-44-74(55)99-83(57)77/h5-48H,49H2,1-4H3
InChIKeyYQMJLAFSPYFNLI-UHFFFAOYSA-N
XLogP24.89
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.44
LogP ≤ 524.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[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)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole (CID 139553146) is 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(c1c(-c2ccccc2C(F)(F)F)c(Cn2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YQMJLAFSPYFNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H58F6N4O2/c1-84(2,96-67-39-19-7-25-50(67)51-26-8-20-40-68(51)96)79-62(49-94-65-37-17-11-33-60(65)76-71(94)47-45-56-54-29-13-23-43-73(54)98-82(56)76)75(58-31-5-15-35-63(58)86(88,89)90)80(85(3,4)97-69-41-21-9-27-52(69)53-28-10-22-42-70(53)97)78(59-32-6-16-36-64(59)87(91,92)93)81(79)95-66-38-18-12-34-61(66)77-72(95)48-46-57-55-30-14-24-44-74(55)99-83(57)77/h5-48H,49H2,1-4H3.
What are the key properties of 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole?
5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1305.44 g/mol, XLogP of 24.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139553146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).