8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C33H18FN5O — CID 144612616

IUPAC8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1ccc2oc3ccc(-n4c5ccc(-n6c7ccncc7c7cnccc76)cc5c5ncccc54)cc3c2c1
InChIInChI=1S/C33H18FN5O/c34-19-3-7-31-22(14-19)23-15-21(5-8-32(23)40-31)39-27-6-4-20(16-24(27)33-30(39)2-1-11-37-33)38-28-9-12-35-17-25(28)26-18-36-13-10-29(26)38/h1-18H
InChIKeyXPZDVOYIDPISIF-UHFFFAOYSA-N
MW519.54 g/mol
LogP8.10
Rot. Bonds2

About 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 144612616) has the molecular formula C33H18FN5O and a molecular weight of 519.54 g/mol. Its IUPAC name is 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID144612616
Molecular FormulaC33H18FN5O
Molecular Weight519.54 g/mol
Exact Mass519.15
IUPAC Name8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1ccc2oc3ccc(-n4c5ccc(-n6c7ccncc7c7cnccc76)cc5c5ncccc54)cc3c2c1
InChIInChI=1S/C33H18FN5O/c34-19-3-7-31-22(14-19)23-15-21(5-8-32(23)40-31)39-27-6-4-20(16-24(27)33-30(39)2-1-11-37-33)38-28-9-12-35-17-25(28)26-18-36-13-10-29(26)38/h1-18H
InChIKeyXPZDVOYIDPISIF-UHFFFAOYSA-N
XLogP8.10
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.54
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

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2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
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3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(2-methylpyrazol-3-yl)indole
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3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indole
CID 10196150
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
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8-[4-[2-(1-Benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline
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Frequently Asked Questions

What is the IUPAC name of 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 144612616) is 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Fc1ccc2oc3ccc(-n4c5ccc(-n6c7ccncc7c7cnccc76)cc5c5ncccc54)cc3c2c1.
What is the InChIKey of 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is XPZDVOYIDPISIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18FN5O/c34-19-3-7-31-22(14-19)23-15-21(5-8-32(23)40-31)39-27-6-4-20(16-24(27)33-30(39)2-1-11-37-33)38-28-9-12-35-17-25(28)26-18-36-13-10-29(26)38/h1-18H.
What are the key properties of 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 519.54 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(8-fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 144612616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).