[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone

C37H21F6NO2 — CID 135252684

IUPAC[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(-n3ccc4cc5ccoc5cc43)cc2)cc1)c1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C37H21F6NO2/c38-36(39,40)31-14-11-27(20-32(31)37(41,42)43)24-3-7-26(8-4-24)35(45)25-5-1-22(2-6-25)23-9-12-30(13-10-23)44-17-15-28-19-29-16-18-46-34(29)21-33(28)44/h1-21H
InChIKeySPZZDEDCQAVYSF-UHFFFAOYSA-N
MW625.57 g/mol
LogP10.98
Rot. Bonds5

About [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone

[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone (PubChem CID 135252684) has the molecular formula C37H21F6NO2 and a molecular weight of 625.57 g/mol. Its IUPAC name is [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone
PubChem CID135252684
Molecular FormulaC37H21F6NO2
Molecular Weight625.57 g/mol
Exact Mass625.15
IUPAC Name[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(-n3ccc4cc5ccoc5cc43)cc2)cc1)c1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C37H21F6NO2/c38-36(39,40)31-14-11-27(20-32(31)37(41,42)43)24-3-7-26(8-4-24)35(45)25-5-1-22(2-6-25)23-9-12-30(13-10-23)44-17-15-28-19-29-16-18-46-34(29)21-33(28)44/h1-21H
InChIKeySPZZDEDCQAVYSF-UHFFFAOYSA-N
XLogP10.98
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.57
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone?
The IUPAC name of [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone (CID 135252684) is [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone.
What is the SMILES notation for [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone?
The canonical SMILES for [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone is O=C(c1ccc(-c2ccc(-n3ccc4cc5ccoc5cc43)cc2)cc1)c1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone?
The InChIKey is SPZZDEDCQAVYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21F6NO2/c38-36(39,40)31-14-11-27(20-32(31)37(41,42)43)24-3-7-26(8-4-24)35(45)25-5-1-22(2-6-25)23-9-12-30(13-10-23)44-17-15-28-19-29-16-18-46-34(29)21-33(28)44/h1-21H.
What are the key properties of [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone?
[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone has a molecular weight of 625.57 g/mol, XLogP of 10.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-[4-(4-furo[3,2-f]indol-7-ylphenyl)phenyl]methanone is sourced from PubChem (CID 135252684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).