6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline

C31H16F6N4 — CID 59005116

IUPAC6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline
SMILESFC(F)(F)C1(C(F)(F)F)c2cc(-c3ccc4ncncc4c3)ccc2-c2ccc(-c3ccc4ncncc4c3)cc21
InChIInChI=1S/C31H16F6N4/c32-30(33,34)29(31(35,36)37)25-11-19(17-3-7-27-21(9-17)13-38-15-40-27)1-5-23(25)24-6-2-20(12-26(24)29)18-4-8-28-22(10-18)14-39-16-41-28/h1-16H
InChIKeyZJBOWNODUYSWNQ-UHFFFAOYSA-N
MW558.49 g/mol
LogP8.30
Rot. Bonds2

About 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline

6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline (PubChem CID 59005116) has the molecular formula C31H16F6N4 and a molecular weight of 558.49 g/mol. Its IUPAC name is 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline.

Molecular Properties

Compound Name6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline
PubChem CID59005116
Molecular FormulaC31H16F6N4
Molecular Weight558.49 g/mol
Exact Mass558.13
IUPAC Name6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline
SMILESFC(F)(F)C1(C(F)(F)F)c2cc(-c3ccc4ncncc4c3)ccc2-c2ccc(-c3ccc4ncncc4c3)cc21
InChIInChI=1S/C31H16F6N4/c32-30(33,34)29(31(35,36)37)25-11-19(17-3-7-27-21(9-17)13-38-15-40-27)1-5-23(25)24-6-2-20(12-26(24)29)18-4-8-28-22(10-18)14-39-16-41-28/h1-16H
InChIKeyZJBOWNODUYSWNQ-UHFFFAOYSA-N
XLogP8.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.49
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline?
The IUPAC name of 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline (CID 59005116) is 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline.
What is the SMILES notation for 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline?
The canonical SMILES for 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline is FC(F)(F)C1(C(F)(F)F)c2cc(-c3ccc4ncncc4c3)ccc2-c2ccc(-c3ccc4ncncc4c3)cc21.
What is the InChIKey of 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline?
The InChIKey is ZJBOWNODUYSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16F6N4/c32-30(33,34)29(31(35,36)37)25-11-19(17-3-7-27-21(9-17)13-38-15-40-27)1-5-23(25)24-6-2-20(12-26(24)29)18-4-8-28-22(10-18)14-39-16-41-28/h1-16H.
What are the key properties of 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline?
6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline has a molecular weight of 558.49 g/mol, XLogP of 8.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline is sourced from PubChem (CID 59005116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).