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

C88H84F2N4 — CID 147893149

IUPAC9-[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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-c1ccccc1F
InChIInChI=1S/C88H84F2N4/c1-83(2,3)53-41-45-69-63(49-53)64-50-54(84(4,5)6)42-46-70(64)91(69)81-77(61-33-17-23-35-67(61)89)79(87(13,14)93-73-37-25-19-29-57(73)58-30-20-26-38-74(58)93)82(92-71-47-43-55(85(7,8)9)51-65(71)66-52-56(86(10,11)12)44-48-72(66)92)80(78(81)62-34-18-24-36-68(62)90)88(15,16)94-75-39-27-21-31-59(75)60-32-22-28-40-76(60)94/h17-52H,1-16H3
InChIKeyICTYZYQWFUVNQD-UHFFFAOYSA-N
MW1235.66 g/mol
LogP24.47
Rot. Bonds8

About 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

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 (PubChem CID 147893149) has the molecular formula C88H84F2N4 and a molecular weight of 1235.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID147893149
Molecular FormulaC88H84F2N4
Molecular Weight1235.66 g/mol
Exact Mass1234.67
IUPAC Name9-[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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-c1ccccc1F
InChIInChI=1S/C88H84F2N4/c1-83(2,3)53-41-45-69-63(49-53)64-50-54(84(4,5)6)42-46-70(64)91(69)81-77(61-33-17-23-35-67(61)89)79(87(13,14)93-73-37-25-19-29-57(73)58-30-20-26-38-74(58)93)82(92-71-47-43-55(85(7,8)9)51-65(71)66-52-56(86(10,11)12)44-48-72(66)92)80(78(81)62-34-18-24-36-68(62)90)88(15,16)94-75-39-27-21-31-59(75)60-32-22-28-40-76(60)94/h17-52H,1-16H3
InChIKeyICTYZYQWFUVNQD-UHFFFAOYSA-N
XLogP24.47
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.66
LogP ≤ 524.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
CID 139552883
3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2-fluorophenyl)-3,5-di(propan-2-yl)phenyl]carbazole
CID 139553686
9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
CID 139552881
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
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
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
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-tert-butyl-9-[3-(2-tert-butylcarbazol-9-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]carbazole
CID 158882718
4-[2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-cyanophenyl)phenyl]benzonitrile
CID 168845296
3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]carbazole
CID 142489616
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-c1ccccc1F.
What is the InChIKey of 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?
The InChIKey is ICTYZYQWFUVNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H84F2N4/c1-83(2,3)53-41-45-69-63(49-53)64-50-54(84(4,5)6)42-46-70(64)91(69)81-77(61-33-17-23-35-67(61)89)79(87(13,14)93-73-37-25-19-29-57(73)58-30-20-26-38-74(58)93)82(92-71-47-43-55(85(7,8)9)51-65(71)66-52-56(86(10,11)12)44-48-72(66)92)80(78(81)62-34-18-24-36-68(62)90)88(15,16)94-75-39-27-21-31-59(75)60-32-22-28-40-76(60)94/h17-52H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 1235.66 g/mol, XLogP of 24.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).