9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole

C78H45F6N3 — CID 23534184

IUPAC9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2cc(-n3c4ccc(-c5ccc(F)cc5)cc4c4cc(-c5ccc(F)cc5)ccc43)cc(-n3c4ccc(-c5ccc(F)cc5)cc4c4cc(-c5ccc(F)cc5)ccc43)c2)cc1
InChIInChI=1S/C78H45F6N3/c79-58-19-1-46(2-20-58)52-13-31-73-67(37-52)68-38-53(47-3-21-59(80)22-4-47)14-32-74(68)85(73)64-43-65(86-75-33-15-54(48-5-23-60(81)24-6-48)39-69(75)70-40-55(16-34-76(70)86)49-7-25-61(82)26-8-49)45-66(44-64)87-77-35-17-56(50-9-27-62(83)28-10-50)41-71(77)72-42-57(18-36-78(72)87)51-11-29-63(84)30-12-51/h1-45H
InChIKeyYROSKXSUZRUZOM-UHFFFAOYSA-N
MW1138.23 g/mol
LogP21.81
Rot. Bonds9

About 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole

9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole (PubChem CID 23534184) has the molecular formula C78H45F6N3 and a molecular weight of 1138.23 g/mol. Its IUPAC name is 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
PubChem CID23534184
Molecular FormulaC78H45F6N3
Molecular Weight1138.23 g/mol
Exact Mass1137.35
IUPAC Name9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2cc(-n3c4ccc(-c5ccc(F)cc5)cc4c4cc(-c5ccc(F)cc5)ccc43)cc(-n3c4ccc(-c5ccc(F)cc5)cc4c4cc(-c5ccc(F)cc5)ccc43)c2)cc1
InChIInChI=1S/C78H45F6N3/c79-58-19-1-46(2-20-58)52-13-31-73-67(37-52)68-38-53(47-3-21-59(80)22-4-47)14-32-74(68)85(73)64-43-65(86-75-33-15-54(48-5-23-60(81)24-6-48)39-69(75)70-40-55(16-34-76(70)86)49-7-25-61(82)26-8-49)45-66(44-64)87-77-35-17-56(50-9-27-62(83)28-10-50)41-71(77)72-42-57(18-36-78(72)87)51-11-29-63(84)30-12-51/h1-45H
InChIKeyYROSKXSUZRUZOM-UHFFFAOYSA-N
XLogP21.81
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001138.23
LogP ≤ 521.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
The IUPAC name of 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole (CID 23534184) is 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole.
What is the SMILES notation for 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
The canonical SMILES for 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole is Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2cc(-n3c4ccc(-c5ccc(F)cc5)cc4c4cc(-c5ccc(F)cc5)ccc43)cc(-n3c4ccc(-c5ccc(F)cc5)cc4c4cc(-c5ccc(F)cc5)ccc43)c2)cc1.
What is the InChIKey of 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
The InChIKey is YROSKXSUZRUZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45F6N3/c79-58-19-1-46(2-20-58)52-13-31-73-67(37-52)68-38-53(47-3-21-59(80)22-4-47)14-32-74(68)85(73)64-43-65(86-75-33-15-54(48-5-23-60(81)24-6-48)39-69(75)70-40-55(16-34-76(70)86)49-7-25-61(82)26-8-49)45-66(44-64)87-77-35-17-56(50-9-27-62(83)28-10-50)41-71(77)72-42-57(18-36-78(72)87)51-11-29-63(84)30-12-51/h1-45H.
What are the key properties of 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole has a molecular weight of 1138.23 g/mol, XLogP of 21.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-3,6-bis(4-fluorophenyl)carbazole is sourced from PubChem (CID 23534184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).