6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole

C54H30F6N4O — CID 153205170

IUPAC6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5oc6c(-n7c8ccccc8c8c9ccccc9n(-c9ccc(C(F)(F)F)cc9)c87)cccc6c5c4)c32)cc1
InChIInChI=1S/C54H30F6N4O/c55-53(56,57)31-20-24-33(25-21-31)61-42-15-5-1-10-37(42)48-39-12-3-7-17-44(39)63(51(48)61)35-28-29-47-41(30-35)36-14-9-19-46(50(36)65-47)64-45-18-8-4-13-40(45)49-38-11-2-6-16-43(38)62(52(49)64)34-26-22-32(23-27-34)54(58,59)60/h1-30H
InChIKeyWKRFHIZYKISYGG-UHFFFAOYSA-N
MW864.85 g/mol
LogP15.71
Rot. Bonds4

About 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole

6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole (PubChem CID 153205170) has the molecular formula C54H30F6N4O and a molecular weight of 864.85 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole
PubChem CID153205170
Molecular FormulaC54H30F6N4O
Molecular Weight864.85 g/mol
Exact Mass864.23
IUPAC Name6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5oc6c(-n7c8ccccc8c8c9ccccc9n(-c9ccc(C(F)(F)F)cc9)c87)cccc6c5c4)c32)cc1
InChIInChI=1S/C54H30F6N4O/c55-53(56,57)31-20-24-33(25-21-31)61-42-15-5-1-10-37(42)48-39-12-3-7-17-44(39)63(51(48)61)35-28-29-47-41(30-35)36-14-9-19-46(50(36)65-47)64-45-18-8-4-13-40(45)49-38-11-2-6-16-43(38)62(52(49)64)34-26-22-32(23-27-34)54(58,59)60/h1-30H
InChIKeyWKRFHIZYKISYGG-UHFFFAOYSA-N
XLogP15.71
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.85
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole (CID 153205170) is 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole is FC(F)(F)c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5oc6c(-n7c8ccccc8c8c9ccccc9n(-c9ccc(C(F)(F)F)cc9)c87)cccc6c5c4)c32)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole?
The InChIKey is WKRFHIZYKISYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30F6N4O/c55-53(56,57)31-20-24-33(25-21-31)61-42-15-5-1-10-37(42)48-39-12-3-7-17-44(39)63(51(48)61)35-28-29-47-41(30-35)36-14-9-19-46(50(36)65-47)64-45-18-8-4-13-40(45)49-38-11-2-6-16-43(38)62(52(49)64)34-26-22-32(23-27-34)54(58,59)60/h1-30H.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole?
6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole has a molecular weight of 864.85 g/mol, XLogP of 15.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-5-[6-[6-[4-(trifluoromethyl)phenyl]indolo[2,3-b]indol-5-yl]dibenzofuran-2-yl]indolo[2,3-b]indole is sourced from PubChem (CID 153205170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).