3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C88H54F2N6 — CID 118259451

IUPAC3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)c(F)c1
InChIInChI=1S/C88H54F2N6/c89-63-39-44-72(77(90)53-63)88-91-78(54-79(92-88)58-33-42-67(43-34-58)96-83-26-14-10-22-71(83)76-52-62(38-48-87(76)96)60-36-46-85-74(50-60)69-20-8-12-24-81(69)94(85)65-17-5-2-6-18-65)57-29-27-55(28-30-57)56-31-40-66(41-32-56)95-82-25-13-9-21-70(82)75-51-61(37-47-86(75)95)59-35-45-84-73(49-59)68-19-7-11-23-80(68)93(84)64-15-3-1-4-16-64/h1-54H
InChIKeyAEENQVCZDZLGSL-UHFFFAOYSA-N
MW1233.44 g/mol
LogP23.15
Rot. Bonds10

About 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118259451) has the molecular formula C88H54F2N6 and a molecular weight of 1233.44 g/mol. Its IUPAC name is 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID118259451
Molecular FormulaC88H54F2N6
Molecular Weight1233.44 g/mol
Exact Mass1232.44
IUPAC Name3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)c(F)c1
InChIInChI=1S/C88H54F2N6/c89-63-39-44-72(77(90)53-63)88-91-78(54-79(92-88)58-33-42-67(43-34-58)96-83-26-14-10-22-71(83)76-52-62(38-48-87(76)96)60-36-46-85-74(50-60)69-20-8-12-24-81(69)94(85)65-17-5-2-6-18-65)57-29-27-55(28-30-57)56-31-40-66(41-32-56)95-82-25-13-9-21-70(82)75-51-61(37-47-86(75)95)59-35-45-84-73(49-59)68-19-7-11-23-80(68)93(84)64-15-3-1-4-16-64/h1-54H
InChIKeyAEENQVCZDZLGSL-UHFFFAOYSA-N
XLogP23.15
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.44
LogP ≤ 523.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 118259451) is 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)c(F)c1.
What is the InChIKey of 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is AEENQVCZDZLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54F2N6/c89-63-39-44-72(77(90)53-63)88-91-78(54-79(92-88)58-33-42-67(43-34-58)96-83-26-14-10-22-71(83)76-52-62(38-48-87(76)96)60-36-46-85-74(50-60)69-20-8-12-24-81(69)94(85)65-17-5-2-6-18-65)57-29-27-55(28-30-57)56-31-40-66(41-32-56)95-82-25-13-9-21-70(82)75-51-61(37-47-86(75)95)59-35-45-84-73(49-59)68-19-7-11-23-80(68)93(84)64-15-3-1-4-16-64/h1-54H.
What are the key properties of 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1233.44 g/mol, XLogP of 23.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[2-(2,4-difluorophenyl)-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118259451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).