11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

C42H25FN2O — CID 126580179

IUPAC11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESFc1ccc2oc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cccc3c2c1
InChIInChI=1S/C42H25FN2O/c43-27-19-22-41-36(23-27)33-14-8-13-30(42(33)46-41)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)35-24-39-34(25-40(35)45)31-11-4-6-15-37(31)44(39)28-9-2-1-3-10-28/h1-25H
InChIKeyNZCYHZSLMGNVGF-UHFFFAOYSA-N
MW592.67 g/mol
LogP11.59
Rot. Bonds3

About 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 126580179) has the molecular formula C42H25FN2O and a molecular weight of 592.67 g/mol. Its IUPAC name is 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID126580179
Molecular FormulaC42H25FN2O
Molecular Weight592.67 g/mol
Exact Mass592.20
IUPAC Name11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESFc1ccc2oc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cccc3c2c1
InChIInChI=1S/C42H25FN2O/c43-27-19-22-41-36(23-27)33-14-8-13-30(42(33)46-41)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)35-24-39-34(25-40(35)45)31-11-4-6-15-37(31)44(39)28-9-2-1-3-10-28/h1-25H
InChIKeyNZCYHZSLMGNVGF-UHFFFAOYSA-N
XLogP11.59
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (CID 126580179) is 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is Fc1ccc2oc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cccc3c2c1.
What is the InChIKey of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is NZCYHZSLMGNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN2O/c43-27-19-22-41-36(23-27)33-14-8-13-30(42(33)46-41)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)35-24-39-34(25-40(35)45)31-11-4-6-15-37(31)44(39)28-9-2-1-3-10-28/h1-25H.
What are the key properties of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 592.67 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 126580179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).