3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole

C38H28FN3O — CID 140954644

IUPAC3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
SMILESCC1(C)c2ccccc2Oc2c1ccc1c2c2ccc(C(F)c3cccc(-c4ccccn4)c3)cc2n1-c1ccccn1
InChIInChI=1S/C38H28FN3O/c1-38(2)28-12-3-4-14-33(28)43-37-29(38)18-19-31-35(37)27-17-16-26(23-32(27)42(31)34-15-6-8-21-41-34)36(39)25-11-9-10-24(22-25)30-13-5-7-20-40-30/h3-23,36H,1-2H3
InChIKeyFNFATDAJUJGDNN-UHFFFAOYSA-N
MW561.66 g/mol
LogP9.73
Rot. Bonds4

About 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole

3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole (PubChem CID 140954644) has the molecular formula C38H28FN3O and a molecular weight of 561.66 g/mol. Its IUPAC name is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole.

Molecular Properties

Compound Name3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
PubChem CID140954644
Molecular FormulaC38H28FN3O
Molecular Weight561.66 g/mol
Exact Mass561.22
IUPAC Name3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
SMILESCC1(C)c2ccccc2Oc2c1ccc1c2c2ccc(C(F)c3cccc(-c4ccccn4)c3)cc2n1-c1ccccn1
InChIInChI=1S/C38H28FN3O/c1-38(2)28-12-3-4-14-33(28)43-37-29(38)18-19-31-35(37)27-17-16-26(23-32(27)42(31)34-15-6-8-21-41-34)36(39)25-11-9-10-24(22-25)30-13-5-7-20-40-30/h3-23,36H,1-2H3
InChIKeyFNFATDAJUJGDNN-UHFFFAOYSA-N
XLogP9.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.66
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-phenyl)-1-{2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CID 10389831
(2-Aminoethyl)(5-methoxy-7-methylpyridino[4,3-c]carbazolyl)amine
CID 471281
{2-[(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)amino]ethyl}dimethylamine
CID 471280
(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)(2-piperidylethyl)amine
CID 471285
4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-9H-carbazole
CID 156020666
US12011444, Example 384
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US12011444, Example 728
CID 135333487
US12011444, Example 383
CID 141525147
8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
CID 154700483
1-methyl-N-(3-phenoxyphenyl)-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-c]pyridin-6-amine
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PDE10A-IN-2 (hydrochloride)
CID 162640824
N-[1-[(2-fluorophenyl)methyl]indol-5-yl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 10227729

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
The IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole (CID 140954644) is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole.
What is the SMILES notation for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
The canonical SMILES for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole is CC1(C)c2ccccc2Oc2c1ccc1c2c2ccc(C(F)c3cccc(-c4ccccn4)c3)cc2n1-c1ccccn1.
What is the InChIKey of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
The InChIKey is FNFATDAJUJGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28FN3O/c1-38(2)28-12-3-4-14-33(28)43-37-29(38)18-19-31-35(37)27-17-16-26(23-32(27)42(31)34-15-6-8-21-41-34)36(39)25-11-9-10-24(22-25)30-13-5-7-20-40-30/h3-23,36H,1-2H3.
What are the key properties of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole has a molecular weight of 561.66 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole is sourced from PubChem (CID 140954644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).