9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine

C67H36F9N7 — CID 162503006

IUPAC9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4C(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc43)c(F)c2F)c(F)c1F
InChIInChI=1S/C67H36F9N7/c68-51-49(52(69)56(73)57(74)55(51)72)50-53(70)58(75)60(59(76)54(50)71)83-47-27-15-13-25-45(47)67(46-26-14-16-28-48(46)83,43-33-29-41(30-34-43)65-79-61(37-17-5-1-6-18-37)77-62(80-65)38-19-7-2-8-20-38)44-35-31-42(32-36-44)66-81-63(39-21-9-3-10-22-39)78-64(82-66)40-23-11-4-12-24-40/h1-36H
InChIKeyOFDCSYDNENVFQR-UHFFFAOYSA-N
MW1110.06 g/mol
LogP17.14
Rot. Bonds10

About 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine

9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine (PubChem CID 162503006) has the molecular formula C67H36F9N7 and a molecular weight of 1110.06 g/mol. Its IUPAC name is 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine.

Molecular Properties

Compound Name9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
PubChem CID162503006
Molecular FormulaC67H36F9N7
Molecular Weight1110.06 g/mol
Exact Mass1109.29
IUPAC Name9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4C(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc43)c(F)c2F)c(F)c1F
InChIInChI=1S/C67H36F9N7/c68-51-49(52(69)56(73)57(74)55(51)72)50-53(70)58(75)60(59(76)54(50)71)83-47-27-15-13-25-45(47)67(46-26-14-16-28-48(46)83,43-33-29-41(30-34-43)65-79-61(37-17-5-1-6-18-37)77-62(80-65)38-19-7-2-8-20-38)44-35-31-42(32-36-44)66-81-63(39-21-9-3-10-22-39)78-64(82-66)40-23-11-4-12-24-40/h1-36H
InChIKeyOFDCSYDNENVFQR-UHFFFAOYSA-N
XLogP17.14
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.06
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
The IUPAC name of 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine (CID 162503006) is 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine.
What is the SMILES notation for 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
The canonical SMILES for 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine is Fc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4C(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc43)c(F)c2F)c(F)c1F.
What is the InChIKey of 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
The InChIKey is OFDCSYDNENVFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H36F9N7/c68-51-49(52(69)56(73)57(74)55(51)72)50-53(70)58(75)60(59(76)54(50)71)83-47-27-15-13-25-45(47)67(46-26-14-16-28-48(46)83,43-33-29-41(30-34-43)65-79-61(37-17-5-1-6-18-37)77-62(80-65)38-19-7-2-8-20-38)44-35-31-42(32-36-44)66-81-63(39-21-9-3-10-22-39)78-64(82-66)40-23-11-4-12-24-40/h1-36H.
What are the key properties of 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine has a molecular weight of 1110.06 g/mol, XLogP of 17.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine is sourced from PubChem (CID 162503006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).