2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole

C43H25FN4O — CID 121419657

IUPAC2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C43H25FN4O/c44-33-12-8-16-38-42(33)30-11-4-6-14-35(30)46(38)29-19-22-41-32(25-29)31-23-26(18-21-40(31)49-41)27-17-20-37-39(24-27)48-36-15-7-5-13-34(36)45-43(48)47(37)28-9-2-1-3-10-28/h1-25H
InChIKeyNTCKZRHHOCYQED-UHFFFAOYSA-N
MW632.70 g/mol
LogP11.23
Rot. Bonds3

About 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole

2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 121419657) has the molecular formula C43H25FN4O and a molecular weight of 632.70 g/mol. Its IUPAC name is 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID121419657
Molecular FormulaC43H25FN4O
Molecular Weight632.70 g/mol
Exact Mass632.20
IUPAC Name2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C43H25FN4O/c44-33-12-8-16-38-42(33)30-11-4-6-14-35(30)46(38)29-19-22-41-32(25-29)31-23-26(18-21-40(31)49-41)27-17-20-37-39(24-27)48-36-15-7-5-13-34(36)45-43(48)47(37)28-9-2-1-3-10-28/h1-25H
InChIKeyNTCKZRHHOCYQED-UHFFFAOYSA-N
XLogP11.23
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.70
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole (CID 121419657) is 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole is Fc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccccc4)cc3c2c1.
What is the InChIKey of 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is NTCKZRHHOCYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25FN4O/c44-33-12-8-16-38-42(33)30-11-4-6-14-35(30)46(38)29-19-22-41-32(25-29)31-23-26(18-21-40(31)49-41)27-17-20-37-39(24-27)48-36-15-7-5-13-34(36)45-43(48)47(37)28-9-2-1-3-10-28/h1-25H.
What are the key properties of 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?
2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 632.70 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121419657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).