2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline

C48H21F9N6 — CID 20735929

IUPAC2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline
SMILESFc1cc(F)c(-c2nc(-c3cc(-c4nc(-c5c(F)cc(F)cc5F)c5ccccc5n4)cc(-c4nc(-c5c(F)cc(F)cc5F)c5ccccc5n4)c3)nc3ccccc23)c(F)c1
InChIInChI=1S/C48H21F9N6/c49-25-16-31(52)40(32(53)17-25)43-28-7-1-4-10-37(28)58-46(61-43)22-13-23(47-59-38-11-5-2-8-29(38)44(62-47)41-33(54)18-26(50)19-34(41)55)15-24(14-22)48-60-39-12-6-3-9-30(39)45(63-48)42-35(56)20-27(51)21-36(42)57/h1-21H
InChIKeyUWNYIDQDANBKQC-UHFFFAOYSA-N
MW852.72 g/mol
LogP12.77
Rot. Bonds6

About 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline

2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline (PubChem CID 20735929) has the molecular formula C48H21F9N6 and a molecular weight of 852.72 g/mol. Its IUPAC name is 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline.

Molecular Properties

Compound Name2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline
PubChem CID20735929
Molecular FormulaC48H21F9N6
Molecular Weight852.72 g/mol
Exact Mass852.17
IUPAC Name2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline
SMILESFc1cc(F)c(-c2nc(-c3cc(-c4nc(-c5c(F)cc(F)cc5F)c5ccccc5n4)cc(-c4nc(-c5c(F)cc(F)cc5F)c5ccccc5n4)c3)nc3ccccc23)c(F)c1
InChIInChI=1S/C48H21F9N6/c49-25-16-31(52)40(32(53)17-25)43-28-7-1-4-10-37(28)58-46(61-43)22-13-23(47-59-38-11-5-2-8-29(38)44(62-47)41-33(54)18-26(50)19-34(41)55)15-24(14-22)48-60-39-12-6-3-9-30(39)45(63-48)42-35(56)20-27(51)21-36(42)57/h1-21H
InChIKeyUWNYIDQDANBKQC-UHFFFAOYSA-N
XLogP12.77
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.72
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline?
The IUPAC name of 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline (CID 20735929) is 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline.
What is the SMILES notation for 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline?
The canonical SMILES for 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline is Fc1cc(F)c(-c2nc(-c3cc(-c4nc(-c5c(F)cc(F)cc5F)c5ccccc5n4)cc(-c4nc(-c5c(F)cc(F)cc5F)c5ccccc5n4)c3)nc3ccccc23)c(F)c1.
What is the InChIKey of 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline?
The InChIKey is UWNYIDQDANBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H21F9N6/c49-25-16-31(52)40(32(53)17-25)43-28-7-1-4-10-37(28)58-46(61-43)22-13-23(47-59-38-11-5-2-8-29(38)44(62-47)41-33(54)18-26(50)19-34(41)55)15-24(14-22)48-60-39-12-6-3-9-30(39)45(63-48)42-35(56)20-27(51)21-36(42)57/h1-21H.
What are the key properties of 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline?
2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline has a molecular weight of 852.72 g/mol, XLogP of 12.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline is sourced from PubChem (CID 20735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).