7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole

C44H26FN3O — CID 121419656

IUPAC7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3c(-c4ccc5c(c4)n4c6ccccc6cc4n5-c4ccccc4)cccc3c2c1
InChIInChI=1S/C44H26FN3O/c45-35-16-9-19-39-43(35)33-13-5-7-18-37(33)46(39)30-21-23-41-34(26-30)32-15-8-14-31(44(32)49-41)27-20-22-38-40(24-27)48-36-17-6-4-10-28(36)25-42(48)47(38)29-11-2-1-3-12-29/h1-26H
InChIKeyKPGSVJVVYGJCBW-UHFFFAOYSA-N
MW631.71 g/mol
LogP11.84
Rot. Bonds3

About 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole

7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 121419656) has the molecular formula C44H26FN3O and a molecular weight of 631.71 g/mol. Its IUPAC name is 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
PubChem CID121419656
Molecular FormulaC44H26FN3O
Molecular Weight631.71 g/mol
Exact Mass631.21
IUPAC Name7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3c(-c4ccc5c(c4)n4c6ccccc6cc4n5-c4ccccc4)cccc3c2c1
InChIInChI=1S/C44H26FN3O/c45-35-16-9-19-39-43(35)33-13-5-7-18-37(33)46(39)30-21-23-41-34(26-30)32-15-8-14-31(44(32)49-41)27-20-22-38-40(24-27)48-36-17-6-4-10-28(36)25-42(48)47(38)29-11-2-1-3-12-29/h1-26H
InChIKeyKPGSVJVVYGJCBW-UHFFFAOYSA-N
XLogP11.84
TPSA27.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.71
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole (CID 121419656) is 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole is Fc1cccc2c1c1ccccc1n2-c1ccc2oc3c(-c4ccc5c(c4)n4c6ccccc6cc4n5-c4ccccc4)cccc3c2c1.
What is the InChIKey of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is KPGSVJVVYGJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26FN3O/c45-35-16-9-19-39-43(35)33-13-5-7-18-37(33)46(39)30-21-23-41-34(26-30)32-15-8-14-31(44(32)49-41)27-20-22-38-40(24-27)48-36-17-6-4-10-28(36)25-42(48)47(38)29-11-2-1-3-12-29/h1-26H.
What are the key properties of 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole?
7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 631.71 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(4-fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 121419656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).