3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine

C80H55N3O — CID 139393698

IUPAC3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C80H55N3O/c1-4-19-56(20-5-1)57-37-45-65(46-38-57)83(68-51-43-62(44-52-68)76-34-18-35-78-77-31-14-15-36-79(77)84-80(76)78)71-54-69(81(63-25-6-2-7-26-63)66-47-39-60(40-48-66)74-32-16-23-58-21-10-12-29-72(58)74)53-70(55-71)82(64-27-8-3-9-28-64)67-49-41-61(42-50-67)75-33-17-24-59-22-11-13-30-73(59)75/h1-55H
InChIKeySXOMHXLDQWNCHT-UHFFFAOYSA-N
MW1074.34 g/mol
LogP22.97
Rot. Bonds13

About 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine

3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 139393698) has the molecular formula C80H55N3O and a molecular weight of 1074.34 g/mol. Its IUPAC name is 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
PubChem CID139393698
Molecular FormulaC80H55N3O
Molecular Weight1074.34 g/mol
Exact Mass1073.43
IUPAC Name3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C80H55N3O/c1-4-19-56(20-5-1)57-37-45-65(46-38-57)83(68-51-43-62(44-52-68)76-34-18-35-78-77-31-14-15-36-79(77)84-80(76)78)71-54-69(81(63-25-6-2-7-26-63)66-47-39-60(40-48-66)74-32-16-23-58-21-10-12-29-72(58)74)53-70(55-71)82(64-27-8-3-9-28-64)67-49-41-61(42-50-67)75-33-17-24-59-22-11-13-30-73(59)75/h1-55H
InChIKeySXOMHXLDQWNCHT-UHFFFAOYSA-N
XLogP22.97
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.34
LogP ≤ 522.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770461

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine (CID 139393698) is 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1.
What is the InChIKey of 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine?
The InChIKey is SXOMHXLDQWNCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H55N3O/c1-4-19-56(20-5-1)57-37-45-65(46-38-57)83(68-51-43-62(44-52-68)76-34-18-35-78-77-31-14-15-36-79(77)84-80(76)78)71-54-69(81(63-25-6-2-7-26-63)66-47-39-60(40-48-66)74-32-16-23-58-21-10-12-29-72(58)74)53-70(55-71)82(64-27-8-3-9-28-64)67-49-41-61(42-50-67)75-33-17-24-59-22-11-13-30-73(59)75/h1-55H.
What are the key properties of 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine?
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 1074.34 g/mol, XLogP of 22.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 139393698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).