7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole

C22H16F2N2 — CID 24812453

IUPAC7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole
SMILESFc1ccc(-n2c3c(c4cc(F)ccc42)CN(c2ccccc2)C3)cc1
InChIInChI=1S/C22H16F2N2/c23-15-6-9-18(10-7-15)26-21-11-8-16(24)12-19(21)20-13-25(14-22(20)26)17-4-2-1-3-5-17/h1-12H,13-14H2
InChIKeyJZGBCUXBMIUNGO-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.43
Rot. Bonds2

About 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole

7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole (PubChem CID 24812453) has the molecular formula C22H16F2N2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole.

Molecular Properties

Compound Name7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole
PubChem CID24812453
Molecular FormulaC22H16F2N2
Molecular Weight346.38 g/mol
Exact Mass346.13
IUPAC Name7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole
SMILESFc1ccc(-n2c3c(c4cc(F)ccc42)CN(c2ccccc2)C3)cc1
InChIInChI=1S/C22H16F2N2/c23-15-6-9-18(10-7-15)26-21-11-8-16(24)12-19(21)20-13-25(14-22(20)26)17-4-2-1-3-5-17/h1-12H,13-14H2
InChIKeyJZGBCUXBMIUNGO-UHFFFAOYSA-N
XLogP5.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-phenylbutan-1-one;hydrochloride
CID 45262702
9-fluoro-6-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indole
CID 71695114
5-[7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indol-2-yl]-1-(4-fluorophenyl)pentan-1-ol
CID 12649805
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012
8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 44612929
8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 44613059
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-thiophen-2-ylbutan-1-ol
CID 12629950
3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one
CID 134125310
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-thiophen-2-ylbutan-1-one
CID 12629945
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole?
The IUPAC name of 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole (CID 24812453) is 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole.
What is the SMILES notation for 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole?
The canonical SMILES for 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole is Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(c2ccccc2)C3)cc1.
What is the InChIKey of 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole?
The InChIKey is JZGBCUXBMIUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2/c23-15-6-9-18(10-7-15)26-21-11-8-16(24)12-19(21)20-13-25(14-22(20)26)17-4-2-1-3-5-17/h1-12H,13-14H2.
What are the key properties of 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole?
7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole has a molecular weight of 346.38 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(4-fluorophenyl)-2-phenyl-1,3-dihydropyrrolo[3,4-b]indole is sourced from PubChem (CID 24812453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).