9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole

C63H30F10N6 — CID 88878792

IUPAC9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole
SMILESFc1c(F)c(F)c(-c2nc(-c3c(F)c(F)c(F)c(F)c3F)nc(-n3c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)ccc4c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc43)n2)c(F)c1F
InChIInChI=1S/C63H30F10N6/c64-51-49(52(65)56(69)59(72)55(51)68)61-74-62(50-53(66)57(70)60(73)58(71)54(50)67)76-63(75-61)79-47-29-35(77-43-17-9-7-15-37(43)39-23-19-33(27-45(39)77)31-11-3-1-4-12-31)21-25-41(47)42-26-22-36(30-48(42)79)78-44-18-10-8-16-38(44)40-24-20-34(28-46(40)78)32-13-5-2-6-14-32/h1-30H
InChIKeyQXFLHCIWWMNYCM-UHFFFAOYSA-N
MW1060.95 g/mol
LogP17.22
Rot. Bonds7

About 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole

9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole (PubChem CID 88878792) has the molecular formula C63H30F10N6 and a molecular weight of 1060.95 g/mol. Its IUPAC name is 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole
PubChem CID88878792
Molecular FormulaC63H30F10N6
Molecular Weight1060.95 g/mol
Exact Mass1060.24
IUPAC Name9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole
SMILESFc1c(F)c(F)c(-c2nc(-c3c(F)c(F)c(F)c(F)c3F)nc(-n3c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)ccc4c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc43)n2)c(F)c1F
InChIInChI=1S/C63H30F10N6/c64-51-49(52(65)56(69)59(72)55(51)68)61-74-62(50-53(66)57(70)60(73)58(71)54(50)67)76-63(75-61)79-47-29-35(77-43-17-9-7-15-37(43)39-23-19-33(27-45(39)77)31-11-3-1-4-12-31)21-25-41(47)42-26-22-36(30-48(42)79)78-44-18-10-8-16-38(44)40-24-20-34(28-46(40)78)32-13-5-2-6-14-32/h1-30H
InChIKeyQXFLHCIWWMNYCM-UHFFFAOYSA-N
XLogP17.22
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.95
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole?
The IUPAC name of 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole (CID 88878792) is 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole is Fc1c(F)c(F)c(-c2nc(-c3c(F)c(F)c(F)c(F)c3F)nc(-n3c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)ccc4c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc43)n2)c(F)c1F.
What is the InChIKey of 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole?
The InChIKey is QXFLHCIWWMNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H30F10N6/c64-51-49(52(65)56(69)59(72)55(51)68)61-74-62(50-53(66)57(70)60(73)58(71)54(50)67)76-63(75-61)79-47-29-35(77-43-17-9-7-15-37(43)39-23-19-33(27-45(39)77)31-11-3-1-4-12-31)21-25-41(47)42-26-22-36(30-48(42)79)78-44-18-10-8-16-38(44)40-24-20-34(28-46(40)78)32-13-5-2-6-14-32/h1-30H.
What are the key properties of 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole?
9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole has a molecular weight of 1060.95 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole is sourced from PubChem (CID 88878792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).