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

C84H50F4N4 — CID 59515070

IUPAC3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)c5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)c4)ccc32)cc1
InChIInChI=1S/C84H50F4N4/c85-61-21-29-65(30-22-61)89-77-13-5-1-9-69(77)73-47-51(17-37-81(73)89)55-41-56(52-18-38-82-74(48-52)70-10-2-6-14-78(70)90(82)66-31-23-62(86)24-32-66)44-59(43-55)60-45-57(53-19-39-83-75(49-53)71-11-3-7-15-79(71)91(83)67-33-25-63(87)26-34-67)42-58(46-60)54-20-40-84-76(50-54)72-12-4-8-16-80(72)92(84)68-35-27-64(88)28-36-68/h1-50H
InChIKeyANIKALNHOUJXNT-UHFFFAOYSA-N
MW1191.34 g/mol
LogP22.97
Rot. Bonds9

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

3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole (PubChem CID 59515070) has the molecular formula C84H50F4N4 and a molecular weight of 1191.34 g/mol. Its IUPAC name is 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole
PubChem CID59515070
Molecular FormulaC84H50F4N4
Molecular Weight1191.34 g/mol
Exact Mass1190.40
IUPAC Name3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)c5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)c4)ccc32)cc1
InChIInChI=1S/C84H50F4N4/c85-61-21-29-65(30-22-61)89-77-13-5-1-9-69(77)73-47-51(17-37-81(73)89)55-41-56(52-18-38-82-74(48-52)70-10-2-6-14-78(70)90(82)66-31-23-62(86)24-32-66)44-59(43-55)60-45-57(53-19-39-83-75(49-53)71-11-3-7-15-79(71)91(83)67-33-25-63(87)26-34-67)42-58(46-60)54-20-40-84-76(50-54)72-12-4-8-16-80(72)92(84)68-35-27-64(88)28-36-68/h1-50H
InChIKeyANIKALNHOUJXNT-UHFFFAOYSA-N
XLogP22.97
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.34
LogP ≤ 522.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole?
The IUPAC name of 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole (CID 59515070) is 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole.
What is the SMILES notation for 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole?
The canonical SMILES for 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)c5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole?
The InChIKey is ANIKALNHOUJXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50F4N4/c85-61-21-29-65(30-22-61)89-77-13-5-1-9-69(77)73-47-51(17-37-81(73)89)55-41-56(52-18-38-82-74(48-52)70-10-2-6-14-78(70)90(82)66-31-23-62(86)24-32-66)44-59(43-55)60-45-57(53-19-39-83-75(49-53)71-11-3-7-15-79(71)91(83)67-33-25-63(87)26-34-67)42-58(46-60)54-20-40-84-76(50-54)72-12-4-8-16-80(72)92(84)68-35-27-64(88)28-36-68/h1-50H.
What are the key properties of 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole?
3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole has a molecular weight of 1191.34 g/mol, XLogP of 22.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-bis[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-(4-fluorophenyl)carbazole is sourced from PubChem (CID 59515070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).