4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine

C54H34FN3O2 — CID 139496512

IUPAC4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine
SMILESFc1ccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C54H34FN3O2/c55-35-23-25-38(26-24-35)58-47-20-10-7-19-45(47)54-48(57(37-15-5-2-6-16-37)39-28-30-52-46(31-39)43-18-9-12-22-51(43)59-52)32-41(33-49(54)58)56(36-13-3-1-4-14-36)40-27-29-44-42-17-8-11-21-50(42)60-53(44)34-40/h1-34H
InChIKeyXBSUJLOLWORSSZ-UHFFFAOYSA-N
MW775.88 g/mol
LogP15.66
Rot. Bonds7

About 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine

4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine (PubChem CID 139496512) has the molecular formula C54H34FN3O2 and a molecular weight of 775.88 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine
PubChem CID139496512
Molecular FormulaC54H34FN3O2
Molecular Weight775.88 g/mol
Exact Mass775.26
IUPAC Name4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine
SMILESFc1ccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C54H34FN3O2/c55-35-23-25-38(26-24-35)58-47-20-10-7-19-45(47)54-48(57(37-15-5-2-6-16-37)39-28-30-52-46(31-39)43-18-9-12-22-51(43)59-52)32-41(33-49(54)58)56(36-13-3-1-4-14-36)40-27-29-44-42-17-8-11-21-50(42)60-53(44)34-40/h1-34H
InChIKeyXBSUJLOLWORSSZ-UHFFFAOYSA-N
XLogP15.66
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.88
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine (CID 139496512) is 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine is Fc1ccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine?
The InChIKey is XBSUJLOLWORSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34FN3O2/c55-35-23-25-38(26-24-35)58-47-20-10-7-19-45(47)54-48(57(37-15-5-2-6-16-37)39-28-30-52-46(31-39)43-18-9-12-22-51(43)59-52)32-41(33-49(54)58)56(36-13-3-1-4-14-36)40-27-29-44-42-17-8-11-21-50(42)60-53(44)34-40/h1-34H.
What are the key properties of 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine?
4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine has a molecular weight of 775.88 g/mol, XLogP of 15.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-2-N-dibenzofuran-3-yl-9-(4-fluorophenyl)-2-N,4-N-diphenylcarbazole-2,4-diamine is sourced from PubChem (CID 139496512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).