4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline

C174H111N3O2S — CID 163459779

IUPAC4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc1)c1ccccc12
InChIInChI=1S/2C58H37NO.C58H37NS/c1-3-14-46-41(12-1)36-55(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-22-54-53-20-9-10-23-57(53)60-58(48)54)45-34-28-40(29-35-45)56-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)56;1-3-14-46-41(12-1)36-54(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-23-57-58(48)53-20-9-10-22-56(53)60-57)45-34-28-40(29-35-45)55-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)55;1-3-14-46-41(12-1)36-55(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-22-54-53-20-9-10-23-57(53)60-58(48)54)45-34-28-40(29-35-45)56-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)56/h3*1-37H
InChIKeyBNOYLWUFMBGLHE-UHFFFAOYSA-N
MW2307.89 g/mol
LogP50.48
Rot. Bonds18

About 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline

4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline (PubChem CID 163459779) has the molecular formula C174H111N3O2S and a molecular weight of 2307.89 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
PubChem CID163459779
Molecular FormulaC174H111N3O2S
Molecular Weight2307.89 g/mol
Exact Mass2305.84
IUPAC Name4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc1)c1ccccc12
InChIInChI=1S/2C58H37NO.C58H37NS/c1-3-14-46-41(12-1)36-55(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-22-54-53-20-9-10-23-57(53)60-58(48)54)45-34-28-40(29-35-45)56-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)56;1-3-14-46-41(12-1)36-54(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-23-57-58(48)53-20-9-10-22-56(53)60-57)45-34-28-40(29-35-45)55-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)55;1-3-14-46-41(12-1)36-55(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-22-54-53-20-9-10-23-57(53)60-58(48)54)45-34-28-40(29-35-45)56-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)56/h3*1-37H
InChIKeyBNOYLWUFMBGLHE-UHFFFAOYSA-N
XLogP50.48
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002307.89
LogP ≤ 550.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 163685896
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 164974664
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
N-(4-dibenzofuran-4-ylphenyl)-N-(6-dibenzothiophen-4-ylphenanthren-3-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(7-dibenzothiophen-4-ylphenanthren-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzofuran-3-amine
CID 165090729
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline
CID 167213699
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline?
The IUPAC name of 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline (CID 163459779) is 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline is c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc1)c1ccccc12.
What is the InChIKey of 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline?
The InChIKey is BNOYLWUFMBGLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H37NO.C58H37NS/c1-3-14-46-41(12-1)36-55(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-22-54-53-20-9-10-23-57(53)60-58(48)54)45-34-28-40(29-35-45)56-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)56;1-3-14-46-41(12-1)36-54(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-23-57-58(48)53-20-9-10-22-56(53)60-57)45-34-28-40(29-35-45)55-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)55;1-3-14-46-41(12-1)36-55(51-18-7-5-16-49(46)51)39-26-32-44(33-27-39)59(43-30-24-38(25-31-43)48-21-11-22-54-53-20-9-10-23-57(53)60-58(48)54)45-34-28-40(29-35-45)56-37-42-13-2-4-15-47(42)50-17-6-8-19-52(50)56/h3*1-37H.
What are the key properties of 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline?
4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 2307.89 g/mol, XLogP of 50.48, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 163459779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).