9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole

C42H26FNO — CID 118488419

IUPAC9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole
SMILESFc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)ccc54)cc3c2c1
InChIInChI=1S/C42H26FNO/c43-33-17-20-41-37(25-33)38-26-34(18-21-42(38)45-41)44-39-15-5-4-14-35(39)36-24-32(16-19-40(36)44)31-13-7-12-30(23-31)29-11-6-10-28(22-29)27-8-2-1-3-9-27/h1-26H
InChIKeyBEEUGJPMSYHQRT-UHFFFAOYSA-N
MW579.67 g/mol
LogP11.82
Rot. Bonds4

About 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole

9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole (PubChem CID 118488419) has the molecular formula C42H26FNO and a molecular weight of 579.67 g/mol. Its IUPAC name is 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole
PubChem CID118488419
Molecular FormulaC42H26FNO
Molecular Weight579.67 g/mol
Exact Mass579.20
IUPAC Name9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole
SMILESFc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)ccc54)cc3c2c1
InChIInChI=1S/C42H26FNO/c43-33-17-20-41-37(25-33)38-26-34(18-21-42(38)45-41)44-39-15-5-4-14-35(39)36-24-32(16-19-40(36)44)31-13-7-12-30(23-31)29-11-6-10-28(22-29)27-8-2-1-3-9-27/h1-26H
InChIKeyBEEUGJPMSYHQRT-UHFFFAOYSA-N
XLogP11.82
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole (CID 118488419) is 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole is Fc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)ccc54)cc3c2c1.
What is the InChIKey of 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is BEEUGJPMSYHQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26FNO/c43-33-17-20-41-37(25-33)38-26-34(18-21-42(38)45-41)44-39-15-5-4-14-35(39)36-24-32(16-19-40(36)44)31-13-7-12-30(23-31)29-11-6-10-28(22-29)27-8-2-1-3-9-27/h1-26H.
What are the key properties of 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole?
9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 579.67 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 118488419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).