2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole

C19H12F2N2O — CID 45138927

IUPAC2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C19H12F2N2O/c1-24-19-17-13(11-6-9(20)2-4-15(11)22-17)8-14-12-7-10(21)3-5-16(12)23-18(14)19/h2-8,22-23H,1H3
InChIKeySNTYYVJPGXPZGD-UHFFFAOYSA-N
MW322.31 g/mol
LogP5.24
Rot. Bonds1

About 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 45138927) has the molecular formula C19H12F2N2O and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID45138927
Molecular FormulaC19H12F2N2O
Molecular Weight322.31 g/mol
Exact Mass322.09
IUPAC Name2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C19H12F2N2O/c1-24-19-17-13(11-6-9(20)2-4-15(11)22-17)8-14-12-7-10(21)3-5-16(12)23-18(14)19/h2-8,22-23H,1H3
InChIKeySNTYYVJPGXPZGD-UHFFFAOYSA-N
XLogP5.24
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.31
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole (CID 45138927) is 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole is COc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is SNTYYVJPGXPZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O/c1-24-19-17-13(11-6-9(20)2-4-15(11)22-17)8-14-12-7-10(21)3-5-16(12)23-18(14)19/h2-8,22-23H,1H3.
What are the key properties of 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 322.31 g/mol, XLogP of 5.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 45138927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).