5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

C76H46F2N2O3 — CID 90262697

IUPAC5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)oc1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C76H46F2N2O3/c77-63-43-51(47-21-5-1-6-22-47)41-61(49-25-9-3-10-26-49)73(63)79(65-35-19-33-58-55-30-15-17-37-68(55)82-75(58)65)53-39-40-60-70(45-53)81-71-46-67(54-29-13-14-32-57(54)72(60)71)80(66-36-20-34-59-56-31-16-18-38-69(56)83-76(59)66)74-62(50-27-11-4-12-28-50)42-52(44-64(74)78)48-23-7-2-8-24-48/h1-46H
InChIKeyXTOYZGOWPGTHDU-UHFFFAOYSA-N
MW1073.21 g/mol
LogP22.42
Rot. Bonds10

About 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 90262697) has the molecular formula C76H46F2N2O3 and a molecular weight of 1073.21 g/mol. Its IUPAC name is 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID90262697
Molecular FormulaC76H46F2N2O3
Molecular Weight1073.21 g/mol
Exact Mass1072.35
IUPAC Name5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)oc1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C76H46F2N2O3/c77-63-43-51(47-21-5-1-6-22-47)41-61(49-25-9-3-10-26-49)73(63)79(65-35-19-33-58-55-30-15-17-37-68(55)82-75(58)65)53-39-40-60-70(45-53)81-71-46-67(54-29-13-14-32-57(54)72(60)71)80(66-36-20-34-59-56-31-16-18-38-69(56)83-76(59)66)74-62(50-27-11-4-12-28-50)42-52(44-64(74)78)48-23-7-2-8-24-48/h1-46H
InChIKeyXTOYZGOWPGTHDU-UHFFFAOYSA-N
XLogP22.42
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.21
LogP ≤ 522.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 90262697) is 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)oc1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c12)c1cccc2c1oc1ccccc12.
What is the InChIKey of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is XTOYZGOWPGTHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46F2N2O3/c77-63-43-51(47-21-5-1-6-22-47)41-61(49-25-9-3-10-26-49)73(63)79(65-35-19-33-58-55-30-15-17-37-68(55)82-75(58)65)53-39-40-60-70(45-53)81-71-46-67(54-29-13-14-32-57(54)72(60)71)80(66-36-20-34-59-56-31-16-18-38-69(56)83-76(59)66)74-62(50-27-11-4-12-28-50)42-52(44-64(74)78)48-23-7-2-8-24-48/h1-46H.
What are the key properties of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 1073.21 g/mol, XLogP of 22.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 90262697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).