2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene

C27H14F6N2 — CID 134962307

IUPAC2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
SMILESFC(F)(F)c1ccc(-c2cc3cncc4cc(-c5ccc(C(F)(F)F)cc5)c5ccc2n5c34)cc1
InChIInChI=1S/C27H14F6N2/c28-26(29,30)19-5-1-15(2-6-19)21-11-17-13-34-14-18-12-22(24-10-9-23(21)35(24)25(17)18)16-3-7-20(8-4-16)27(31,32)33/h1-14H
InChIKeySVIWTFRDSYXDCS-UHFFFAOYSA-N
MW480.41 g/mol
LogP8.45
Rot. Bonds2

About 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene

2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene (PubChem CID 134962307) has the molecular formula C27H14F6N2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene.

Molecular Properties

Compound Name2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
PubChem CID134962307
Molecular FormulaC27H14F6N2
Molecular Weight480.41 g/mol
Exact Mass480.11
IUPAC Name2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
SMILESFC(F)(F)c1ccc(-c2cc3cncc4cc(-c5ccc(C(F)(F)F)cc5)c5ccc2n5c34)cc1
InChIInChI=1S/C27H14F6N2/c28-26(29,30)19-5-1-15(2-6-19)21-11-17-13-34-14-18-12-22(24-10-9-23(21)35(24)25(17)18)16-3-7-20(8-4-16)27(31,32)33/h1-14H
InChIKeySVIWTFRDSYXDCS-UHFFFAOYSA-N
XLogP8.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.41
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene with MolForge

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Related Compounds

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4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine
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Isocryptolepine Hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
The IUPAC name of 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene (CID 134962307) is 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene.
What is the SMILES notation for 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
The canonical SMILES for 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene is FC(F)(F)c1ccc(-c2cc3cncc4cc(-c5ccc(C(F)(F)F)cc5)c5ccc2n5c34)cc1.
What is the InChIKey of 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
The InChIKey is SVIWTFRDSYXDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F6N2/c28-26(29,30)19-5-1-15(2-6-19)21-11-17-13-34-14-18-12-22(24-10-9-23(21)35(24)25(17)18)16-3-7-20(8-4-16)27(31,32)33/h1-14H.
What are the key properties of 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene has a molecular weight of 480.41 g/mol, XLogP of 8.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis[4-(trifluoromethyl)phenyl]-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene is sourced from PubChem (CID 134962307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).