12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole

C86H56F6N4O2 — CID 139552853

IUPAC12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C86H56F6N4O2/c1-83(2,95-65-39-19-9-25-49(65)50-26-10-20-40-66(50)95)77-75(57-31-5-15-35-61(57)85(87,88)89)81(93-63-37-17-7-29-53(63)55-45-47-71-73(79(55)93)59-33-13-23-43-69(59)97-71)78(84(3,4)96-67-41-21-11-27-51(67)52-28-12-22-42-68(52)96)82(76(77)58-32-6-16-36-62(58)86(90,91)92)94-64-38-18-8-30-54(64)56-46-48-72-74(80(56)94)60-34-14-24-44-70(60)98-72/h5-48H,1-4H3
InChIKeyLWBDJSSWJQISGF-UHFFFAOYSA-N
MW1291.41 g/mol
LogP24.83
Rot. Bonds8

About 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole

12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 139552853) has the molecular formula C86H56F6N4O2 and a molecular weight of 1291.41 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID139552853
Molecular FormulaC86H56F6N4O2
Molecular Weight1291.41 g/mol
Exact Mass1290.43
IUPAC Name12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C86H56F6N4O2/c1-83(2,95-65-39-19-9-25-49(65)50-26-10-20-40-66(50)95)77-75(57-31-5-15-35-61(57)85(87,88)89)81(93-63-37-17-7-29-53(63)55-45-47-71-73(79(55)93)59-33-13-23-43-69(59)97-71)78(84(3,4)96-67-41-21-11-27-51(67)52-28-12-22-42-68(52)96)82(76(77)58-32-6-16-36-62(58)86(90,91)92)94-64-38-18-8-30-54(64)56-46-48-72-74(80(56)94)60-34-14-24-44-70(60)98-72/h5-48H,1-4H3
InChIKeyLWBDJSSWJQISGF-UHFFFAOYSA-N
XLogP24.83
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.41
LogP ≤ 524.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

15-(5,9-Dioxa-13b-boranaphtho[3,2,1-de]anthracen-7-yl)-10-phenyl-10,15-dihydrobenzofuro[3,2-a]indolo[3,2-c]carbazole
CID 170532748
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine
CID 71053995
9-[3-[9-[7-(Trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
CID 71278345
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 89965883
N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
CID 90129117
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 90194011
N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 90194056

Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 139552853) is 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole is CC(C)(c1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is LWBDJSSWJQISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56F6N4O2/c1-83(2,95-65-39-19-9-25-49(65)50-26-10-20-40-66(50)95)77-75(57-31-5-15-35-61(57)85(87,88)89)81(93-63-37-17-7-29-53(63)55-45-47-71-73(79(55)93)59-33-13-23-43-69(59)97-71)78(84(3,4)96-67-41-21-11-27-51(67)52-28-12-22-42-68(52)96)82(76(77)58-32-6-16-36-62(58)86(90,91)92)94-64-38-18-8-30-54(64)56-46-48-72-74(80(56)94)60-34-14-24-44-70(60)98-72/h5-48H,1-4H3.
What are the key properties of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 1291.41 g/mol, XLogP of 24.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 139552853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).