4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline

C86H56N2O4 — CID 121323235

IUPAC4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C86H56N2O4/c1-53-49-57(37-45-75(53)87(61-41-33-55(34-42-61)59-39-47-83-73(51-59)67-21-7-11-29-79(67)89-83)77-27-9-3-17-63(77)69-23-15-25-71-65-19-5-13-31-81(65)91-85(69)71)58-38-46-76(54(2)50-58)88(62-43-35-56(36-44-62)60-40-48-84-74(52-60)68-22-8-12-30-80(68)90-84)78-28-10-4-18-64(78)70-24-16-26-72-66-20-6-14-32-82(66)92-86(70)72/h3-52H,1-2H3
InChIKeyMOUQEINENPDUED-UHFFFAOYSA-N
MW1181.40 g/mol
LogP25.18
Rot. Bonds11

About 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline

4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline (PubChem CID 121323235) has the molecular formula C86H56N2O4 and a molecular weight of 1181.40 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
PubChem CID121323235
Molecular FormulaC86H56N2O4
Molecular Weight1181.40 g/mol
Exact Mass1180.42
IUPAC Name4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C86H56N2O4/c1-53-49-57(37-45-75(53)87(61-41-33-55(34-42-61)59-39-47-83-73(51-59)67-21-7-11-29-79(67)89-83)77-27-9-3-17-63(77)69-23-15-25-71-65-19-5-13-31-81(65)91-85(69)71)58-38-46-76(54(2)50-58)88(62-43-35-56(36-44-62)60-40-48-84-74(52-60)68-22-8-12-30-80(68)90-84)78-28-10-4-18-64(78)70-24-16-26-72-66-20-6-14-32-82(66)92-86(70)72/h3-52H,1-2H3
InChIKeyMOUQEINENPDUED-UHFFFAOYSA-N
XLogP25.18
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.40
LogP ≤ 525.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline with MolForge

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine
CID 121323324
4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510698
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138708428
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 121323341
N-[4-[4-(4-dibenzofuran-4-yl-N-[2-methyl-6-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-6-(4-phenylphenyl)aniline
CID 121323023
N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119854
4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine;4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 167649137
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline
CID 121322890

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline?
The IUPAC name of 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline (CID 121323235) is 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline.
What is the SMILES notation for 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline?
The canonical SMILES for 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline is Cc1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline?
The InChIKey is MOUQEINENPDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56N2O4/c1-53-49-57(37-45-75(53)87(61-41-33-55(34-42-61)59-39-47-83-73(51-59)67-21-7-11-29-79(67)89-83)77-27-9-3-17-63(77)69-23-15-25-71-65-19-5-13-31-81(65)91-85(69)71)58-38-46-76(54(2)50-58)88(62-43-35-56(36-44-62)60-40-48-84-74(52-60)68-22-8-12-30-80(68)90-84)78-28-10-4-18-64(78)70-24-16-26-72-66-20-6-14-32-82(66)92-86(70)72/h3-52H,1-2H3.
What are the key properties of 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline?
4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline has a molecular weight of 1181.40 g/mol, XLogP of 25.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline is sourced from PubChem (CID 121323235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).