5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine

C78H51F2N3O — CID 126632942

IUPAC5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESFc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)c4c(oc5ccccc54)c2-3)c2ncc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C78H51F2N3O/c79-60-36-40-62(41-37-60)82(77-68(55-27-13-4-14-28-55)48-57(51-81-77)53-23-9-2-10-24-53)64-44-45-65-69(49-64)78(58-29-15-5-16-30-58,59-31-17-6-18-32-59)70-50-72(75-66-33-19-20-34-73(66)84-76(75)74(65)70)83(63-42-38-61(80)39-43-63)71-46-35-56(52-21-7-1-8-22-52)47-67(71)54-25-11-3-12-26-54/h1-51H
InChIKeyNLMDPJKNNYMRGL-UHFFFAOYSA-N
MW1084.28 g/mol
LogP21.23
Rot. Bonds12

About 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine

5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 126632942) has the molecular formula C78H51F2N3O and a molecular weight of 1084.28 g/mol. Its IUPAC name is 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
PubChem CID126632942
Molecular FormulaC78H51F2N3O
Molecular Weight1084.28 g/mol
Exact Mass1083.40
IUPAC Name5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESFc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)c4c(oc5ccccc54)c2-3)c2ncc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C78H51F2N3O/c79-60-36-40-62(41-37-60)82(77-68(55-27-13-4-14-28-55)48-57(51-81-77)53-23-9-2-10-24-53)64-44-45-65-69(49-64)78(58-29-15-5-16-30-58,59-31-17-6-18-32-59)70-50-72(75-66-33-19-20-34-73(66)84-76(75)74(65)70)83(63-42-38-61(80)39-43-63)71-46-35-56(52-21-7-1-8-22-52)47-67(71)54-25-11-3-12-26-54/h1-51H
InChIKeyNLMDPJKNNYMRGL-UHFFFAOYSA-N
XLogP21.23
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.28
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 126632942) is 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine is Fc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)c4c(oc5ccccc54)c2-3)c2ncc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
The InChIKey is NLMDPJKNNYMRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51F2N3O/c79-60-36-40-62(41-37-60)82(77-68(55-27-13-4-14-28-55)48-57(51-81-77)53-23-9-2-10-24-53)64-44-45-65-69(49-64)78(58-29-15-5-16-30-58,59-31-17-6-18-32-59)70-50-72(75-66-33-19-20-34-73(66)84-76(75)74(65)70)83(63-42-38-61(80)39-43-63)71-46-35-56(52-21-7-1-8-22-52)47-67(71)54-25-11-3-12-26-54/h1-51H.
What are the key properties of 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 1084.28 g/mol, XLogP of 21.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 126632942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).