N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine

C60H36N2O4 — CID 171435510

IUPACN-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2cccc3c2oc2ccccc23)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4c3oc3ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C60H36N2O4/c1-3-17-37(18-4-1)61(48-27-15-25-42-39-21-7-11-29-51(39)63-57(42)48)47-35-34-44(59-56(47)46-24-10-14-32-54(46)65-59)41-33-36-50(60-55(41)45-23-9-13-31-53(45)66-60)62(38-19-5-2-6-20-38)49-28-16-26-43-40-22-8-12-30-52(40)64-58(43)49/h1-36H
InChIKeyUPSRQAQXFRZKGW-UHFFFAOYSA-N
MW848.96 g/mol
LogP17.89
Rot. Bonds7

About N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine

N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine (PubChem CID 171435510) has the molecular formula C60H36N2O4 and a molecular weight of 848.96 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
PubChem CID171435510
Molecular FormulaC60H36N2O4
Molecular Weight848.96 g/mol
Exact Mass848.27
IUPAC NameN-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2cccc3c2oc2ccccc23)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4c3oc3ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C60H36N2O4/c1-3-17-37(18-4-1)61(48-27-15-25-42-39-21-7-11-29-51(39)63-57(42)48)47-35-34-44(59-56(47)46-24-10-14-32-54(46)65-59)41-33-36-50(60-55(41)45-23-9-13-31-53(45)66-60)62(38-19-5-2-6-20-38)49-28-16-26-43-40-22-8-12-30-52(40)64-58(43)49/h1-36H
InChIKeyUPSRQAQXFRZKGW-UHFFFAOYSA-N
XLogP17.89
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.96
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435515
N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069363
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine (CID 171435510) is N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2cccc3c2oc2ccccc23)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4c3oc3ccccc34)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine?
The InChIKey is UPSRQAQXFRZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O4/c1-3-17-37(18-4-1)61(48-27-15-25-42-39-21-7-11-29-51(39)63-57(42)48)47-35-34-44(59-56(47)46-24-10-14-32-54(46)65-59)41-33-36-50(60-55(41)45-23-9-13-31-53(45)66-60)62(38-19-5-2-6-20-38)49-28-16-26-43-40-22-8-12-30-52(40)64-58(43)49/h1-36H.
What are the key properties of N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine?
N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine has a molecular weight of 848.96 g/mol, XLogP of 17.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171435510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).