5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C48H26F3N3O2 — CID 147166385

IUPAC5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-c2cnccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C48H26F3N3O2/c49-48(50,51)27-17-18-28(41(25-27)54-37-14-6-2-12-34(37)45-40(54)22-20-32-30-10-4-8-16-43(30)56-47(32)45)35-26-52-24-23-38(35)53-36-13-5-1-11-33(36)44-39(53)21-19-31-29-9-3-7-15-42(29)55-46(31)44/h1-26H
InChIKeyBWVWQAOXPVEIFZ-UHFFFAOYSA-N
MW733.75 g/mol
LogP13.76
Rot. Bonds3

About 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 147166385) has the molecular formula C48H26F3N3O2 and a molecular weight of 733.75 g/mol. Its IUPAC name is 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID147166385
Molecular FormulaC48H26F3N3O2
Molecular Weight733.75 g/mol
Exact Mass733.20
IUPAC Name5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-c2cnccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C48H26F3N3O2/c49-48(50,51)27-17-18-28(41(25-27)54-37-14-6-2-12-34(37)45-40(54)22-20-32-30-10-4-8-16-43(30)56-47(32)45)35-26-52-24-23-38(35)53-36-13-5-1-11-33(36)44-39(53)21-19-31-29-9-3-7-15-42(29)55-46(31)44/h1-26H
InChIKeyBWVWQAOXPVEIFZ-UHFFFAOYSA-N
XLogP13.76
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.75
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 147166385) is 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is FC(F)(F)c1ccc(-c2cnccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is BWVWQAOXPVEIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26F3N3O2/c49-48(50,51)27-17-18-28(41(25-27)54-37-14-6-2-12-34(37)45-40(54)22-20-32-30-10-4-8-16-43(30)56-47(32)45)35-26-52-24-23-38(35)53-36-13-5-1-11-33(36)44-39(53)21-19-31-29-9-3-7-15-42(29)55-46(31)44/h1-26H.
What are the key properties of 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 733.75 g/mol, XLogP of 13.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 147166385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).