9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole

C98H49F12N13 — CID 138593212

IUPAC9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole
SMILESFc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1cc(-c2ccccn2)nc(-c2ccc(-c3ccc(-c4nc(-c5cc(-c6cccc(-c7nc(-c8ccccn8)nc(-c8c(F)c(F)c(-n9c%10ccccc%10c%10ccccc%109)c(F)c8F)n7)c6)ccn5)cc(-c5c(F)c(F)c(-n6c7ccccc7c7ccccc76)c(F)c5F)n4)cc3)cn2)c1
InChIInChI=1S/C98H49F12N13/c99-80-77(81(100)87(106)92(86(80)105)121-71-28-7-1-20-57(71)58-21-2-8-29-72(58)121)56-46-67(63-26-13-15-41-111-63)115-68(47-56)64-39-38-55(49-114-64)50-34-36-51(37-35-50)95-116-69(48-70(117-95)78-82(101)88(107)93(89(108)83(78)102)122-73-30-9-3-22-59(73)60-23-4-10-31-74(60)122)66-45-53(40-43-113-66)52-18-17-19-54(44-52)96-118-97(65-27-14-16-42-112-65)120-98(119-96)79-84(103)90(109)94(91(110)85(79)104)123-75-32-11-5-24-61(75)62-25-6-12-33-76(62)123/h1-49H
InChIKeyVBNSPJOBZFFHBU-UHFFFAOYSA-N
MW1636.54 g/mol
LogP24.93
Rot. Bonds14

About 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole

9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole (PubChem CID 138593212) has the molecular formula C98H49F12N13 and a molecular weight of 1636.54 g/mol. Its IUPAC name is 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole
PubChem CID138593212
Molecular FormulaC98H49F12N13
Molecular Weight1636.54 g/mol
Exact Mass1635.40
IUPAC Name9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole
SMILESFc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1cc(-c2ccccn2)nc(-c2ccc(-c3ccc(-c4nc(-c5cc(-c6cccc(-c7nc(-c8ccccn8)nc(-c8c(F)c(F)c(-n9c%10ccccc%10c%10ccccc%109)c(F)c8F)n7)c6)ccn5)cc(-c5c(F)c(F)c(-n6c7ccccc7c7ccccc76)c(F)c5F)n4)cc3)cn2)c1
InChIInChI=1S/C98H49F12N13/c99-80-77(81(100)87(106)92(86(80)105)121-71-28-7-1-20-57(71)58-21-2-8-29-72(58)121)56-46-67(63-26-13-15-41-111-63)115-68(47-56)64-39-38-55(49-114-64)50-34-36-51(37-35-50)95-116-69(48-70(117-95)78-82(101)88(107)93(89(108)83(78)102)122-73-30-9-3-22-59(73)60-23-4-10-31-74(60)122)66-45-53(40-43-113-66)52-18-17-19-54(44-52)96-118-97(65-27-14-16-42-112-65)120-98(119-96)79-84(103)90(109)94(91(110)85(79)104)123-75-32-11-5-24-61(75)62-25-6-12-33-76(62)123/h1-49H
InChIKeyVBNSPJOBZFFHBU-UHFFFAOYSA-N
XLogP24.93
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.54
LogP ≤ 524.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole (CID 138593212) is 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole is Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1cc(-c2ccccn2)nc(-c2ccc(-c3ccc(-c4nc(-c5cc(-c6cccc(-c7nc(-c8ccccn8)nc(-c8c(F)c(F)c(-n9c%10ccccc%10c%10ccccc%109)c(F)c8F)n7)c6)ccn5)cc(-c5c(F)c(F)c(-n6c7ccccc7c7ccccc76)c(F)c5F)n4)cc3)cn2)c1.
What is the InChIKey of 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole?
The InChIKey is VBNSPJOBZFFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H49F12N13/c99-80-77(81(100)87(106)92(86(80)105)121-71-28-7-1-20-57(71)58-21-2-8-29-72(58)121)56-46-67(63-26-13-15-41-111-63)115-68(47-56)64-39-38-55(49-114-64)50-34-36-51(37-35-50)95-116-69(48-70(117-95)78-82(101)88(107)93(89(108)83(78)102)122-73-30-9-3-22-59(73)60-23-4-10-31-74(60)122)66-45-53(40-43-113-66)52-18-17-19-54(44-52)96-118-97(65-27-14-16-42-112-65)120-98(119-96)79-84(103)90(109)94(91(110)85(79)104)123-75-32-11-5-24-61(75)62-25-6-12-33-76(62)123/h1-49H.
What are the key properties of 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole?
9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole has a molecular weight of 1636.54 g/mol, XLogP of 24.93, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-[2-[6-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole is sourced from PubChem (CID 138593212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).