4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine

C228H160N6O — CID 159052389

IUPAC4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc5c(c4)oc4ccccc45)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C78H54N2.C78H56N2.C72H50N2O/c1-6-20-55(21-7-1)59-34-43-65(44-35-59)79(66-45-36-60(37-46-66)56-22-8-2-9-23-56)77-54-78(80(67-47-38-61(39-48-67)57-24-10-3-11-25-57)68-49-40-62(41-50-68)58-26-12-4-13-27-58)75(53-74(77)63-28-14-5-15-29-63)64-42-51-73-71-32-17-16-30-69(71)70-31-18-19-33-72(70)76(73)52-64;1-8-22-57(23-9-1)61-36-45-69(46-37-61)79(70-47-38-62(39-48-70)58-24-10-2-11-25-58)77-56-78(80(71-49-40-63(41-50-71)59-26-12-3-13-27-59)72-51-42-64(43-52-72)60-28-14-4-15-29-60)76(55-75(77)67-34-20-7-21-35-67)68-44-53-73(65-30-16-5-17-31-65)74(54-68)66-32-18-6-19-33-66;1-6-18-51(19-7-1)55-30-39-61(40-31-55)73(62-41-32-56(33-42-62)52-20-8-2-9-21-52)69-50-70(68(49-67(69)59-26-14-5-15-27-59)60-38-47-66-65-28-16-17-29-71(65)75-72(66)48-60)74(63-43-34-57(35-44-63)53-22-10-3-11-23-53)64-45-36-58(37-46-64)54-24-12-4-13-25-54/h1-54H;1-56H;1-50H
InChIKeyJXKSUQVDZLJRNO-UHFFFAOYSA-N
MW2999.83 g/mol
LogP64.58
Rot. Bonds38

About 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine

4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine (PubChem CID 159052389) has the molecular formula C228H160N6O and a molecular weight of 2999.83 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine
PubChem CID159052389
Molecular FormulaC228H160N6O
Molecular Weight2999.83 g/mol
Exact Mass2997.27
IUPAC Name4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc5c(c4)oc4ccccc45)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C78H54N2.C78H56N2.C72H50N2O/c1-6-20-55(21-7-1)59-34-43-65(44-35-59)79(66-45-36-60(37-46-66)56-22-8-2-9-23-56)77-54-78(80(67-47-38-61(39-48-67)57-24-10-3-11-25-57)68-49-40-62(41-50-68)58-26-12-4-13-27-58)75(53-74(77)63-28-14-5-15-29-63)64-42-51-73-71-32-17-16-30-69(71)70-31-18-19-33-72(70)76(73)52-64;1-8-22-57(23-9-1)61-36-45-69(46-37-61)79(70-47-38-62(39-48-70)58-24-10-2-11-25-58)77-56-78(80(71-49-40-63(41-50-71)59-26-12-3-13-27-59)72-51-42-64(43-52-72)60-28-14-4-15-29-60)76(55-75(77)67-34-20-7-21-35-67)68-44-53-73(65-30-16-5-17-31-65)74(54-68)66-32-18-6-19-33-66;1-6-18-51(19-7-1)55-30-39-61(40-31-55)73(62-41-32-56(33-42-62)52-20-8-2-9-21-52)69-50-70(68(49-67(69)59-26-14-5-15-27-59)60-38-47-66-65-28-16-17-29-71(65)75-72(66)48-60)74(63-43-34-57(35-44-63)53-22-10-3-11-23-53)64-45-36-58(37-46-64)54-24-12-4-13-25-54/h1-54H;1-56H;1-50H
InChIKeyJXKSUQVDZLJRNO-UHFFFAOYSA-N
XLogP64.58
TPSA32.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds38
Heavy Atoms235
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002999.83
LogP ≤ 564.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine with MolForge

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Related Compounds

3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277334
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
N-(4-dibenzofuran-3-ylphenyl)-N-(2,4-diphenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(3,4-diphenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 160598683
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
3'-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 161260568
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine (CID 159052389) is 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc5c(c4)oc4ccccc45)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine?
The InChIKey is JXKSUQVDZLJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2.C78H56N2.C72H50N2O/c1-6-20-55(21-7-1)59-34-43-65(44-35-59)79(66-45-36-60(37-46-66)56-22-8-2-9-23-56)77-54-78(80(67-47-38-61(39-48-67)57-24-10-3-11-25-57)68-49-40-62(41-50-68)58-26-12-4-13-27-58)75(53-74(77)63-28-14-5-15-29-63)64-42-51-73-71-32-17-16-30-69(71)70-31-18-19-33-72(70)76(73)52-64;1-8-22-57(23-9-1)61-36-45-69(46-37-61)79(70-47-38-62(39-48-70)58-24-10-2-11-25-58)77-56-78(80(71-49-40-63(41-50-71)59-26-12-3-13-27-59)72-51-42-64(43-52-72)60-28-14-4-15-29-60)76(55-75(77)67-34-20-7-21-35-67)68-44-53-73(65-30-16-5-17-31-65)74(54-68)66-32-18-6-19-33-66;1-6-18-51(19-7-1)55-30-39-61(40-31-55)73(62-41-32-56(33-42-62)52-20-8-2-9-21-52)69-50-70(68(49-67(69)59-26-14-5-15-27-59)60-38-47-66-65-28-16-17-29-71(65)75-72(66)48-60)74(63-43-34-57(35-44-63)53-22-10-3-11-23-53)64-45-36-58(37-46-64)54-24-12-4-13-25-54/h1-54H;1-56H;1-50H.
What are the key properties of 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine?
4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine has a molecular weight of 2999.83 g/mol, XLogP of 64.58, 38 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 159052389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).