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

C69H43F2N3O2 — CID 163733802

IUPAC12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3O2/c1-69(2,74-54-31-15-7-19-40(54)41-20-8-16-32-55(41)74)66-62(46-23-3-11-27-50(46)70)56(72-52-29-13-5-21-42(52)44-35-37-60-64(67(44)72)48-25-9-17-33-58(48)75-60)39-57(63(66)47-24-4-12-28-51(47)71)73-53-30-14-6-22-43(53)45-36-38-61-65(68(45)73)49-26-10-18-34-59(49)76-61/h3-39H,1-2H3
InChIKeyLBWULHMNTCIZEZ-UHFFFAOYSA-N
MW984.12 g/mol
LogP19.18
Rot. Bonds6

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

12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 163733802) has the molecular formula C69H43F2N3O2 and a molecular weight of 984.12 g/mol. Its IUPAC name is 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID163733802
Molecular FormulaC69H43F2N3O2
Molecular Weight984.12 g/mol
Exact Mass983.33
IUPAC Name12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3O2/c1-69(2,74-54-31-15-7-19-40(54)41-20-8-16-32-55(41)74)66-62(46-23-3-11-27-50(46)70)56(72-52-29-13-5-21-42(52)44-35-37-60-64(67(44)72)48-25-9-17-33-58(48)75-60)39-57(63(66)47-24-4-12-28-51(47)71)73-53-30-14-6-22-43(53)45-36-38-61-65(68(45)73)49-26-10-18-34-59(49)76-61/h3-39H,1-2H3
InChIKeyLBWULHMNTCIZEZ-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 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-fluorophenyl)-3,5-dimethylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552942
12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 142489605
14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)-5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163627548
9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
CID 139552883
9-[2,6-bis(2-carbazol-9-ylpropan-2-yl)-4-(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(2-fluorophenyl)phenyl]-3,6-ditert-butylcarbazole
CID 147893149
12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163676732
2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 148760237
12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 176623225
12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;2-tert-butyl-9-[3-(2-tert-butylcarbazol-9-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]carbazole;3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]carbazole;2,7-ditert-butyl-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]carbazole;9-[5-(2,6-difluorophenyl)-3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole;9-[5-(2,6-difluorophenyl)-3-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole;9-[5-(2,6-difluorophenyl)-3-(2-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[5-(2,6-difluorophenyl)-3-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 161390736
12-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 167259628
12-[9-(3-phenylphenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 170688666
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-ditert-butyl-3,5-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552710

Frequently Asked Questions

What is the IUPAC name of 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 163733802) is 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is CC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is LBWULHMNTCIZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3O2/c1-69(2,74-54-31-15-7-19-40(54)41-20-8-16-32-55(41)74)66-62(46-23-3-11-27-50(46)70)56(72-52-29-13-5-21-42(52)44-35-37-60-64(67(44)72)48-25-9-17-33-58(48)75-60)39-57(63(66)47-24-4-12-28-51(47)71)73-53-30-14-6-22-43(53)45-36-38-61-65(68(45)73)49-26-10-18-34-59(49)76-61/h3-39H,1-2H3.
What are the key properties of 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]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 12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 163733802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).