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6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole

C45H25FN6O — CID 146554974

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILESFc1c2oc3ccccc3c2cc2c1c1ccccc1n2-c1nc2ccccc2nc1-c1nc(-c2ccccc2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C45H25FN6O/c46-39-38-31-19-6-10-23-35(31)52(36(38)25-32-29-18-7-11-24-37(29)53-41(32)39)45-40(47-33-21-8-9-22-34(33)48-45)44-50-42(27-14-2-1-3-15-27)49-43(51-44)30-20-12-16-26-13-4-5-17-28(26)30/h1-25H
InChIKeyIFLMCOWOZZQWGI-UHFFFAOYSA-N
MW684.73 g/mol
LogP11.10
Rot. Bonds4

About 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole

6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 146554974) has the molecular formula C45H25FN6O and a molecular weight of 684.73 g/mol. Its IUPAC name is 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID146554974
Molecular FormulaC45H25FN6O
Molecular Weight684.73 g/mol
Exact Mass684.21
IUPAC Name6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILESFc1c2oc3ccccc3c2cc2c1c1ccccc1n2-c1nc2ccccc2nc1-c1nc(-c2ccccc2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C45H25FN6O/c46-39-38-31-19-6-10-23-35(31)52(36(38)25-32-29-18-7-11-24-37(29)53-41(32)39)45-40(47-33-21-8-9-22-34(33)48-45)44-50-42(27-14-2-1-3-15-27)49-43(51-44)30-20-12-16-26-13-4-5-17-28(26)30/h1-25H
InChIKeyIFLMCOWOZZQWGI-UHFFFAOYSA-N
XLogP11.10
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.73
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole (CID 146554974) is 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole is Fc1c2oc3ccccc3c2cc2c1c1ccccc1n2-c1nc2ccccc2nc1-c1nc(-c2ccccc2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is IFLMCOWOZZQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25FN6O/c46-39-38-31-19-6-10-23-35(31)52(36(38)25-32-29-18-7-11-24-37(29)53-41(32)39)45-40(47-33-21-8-9-22-34(33)48-45)44-50-42(27-14-2-1-3-15-27)49-43(51-44)30-20-12-16-26-13-4-5-17-28(26)30/h1-25H.
What are the key properties of 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole?
6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 684.73 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-11-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 146554974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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