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

C166H99N3O6S3 — CID 165090729

IUPACN-(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
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)ccc12
InChIInChI=1S/2C56H33NO2S.C54H33NO2S/c1-4-16-51-45(9-1)47-30-27-40(33-53(47)58-51)57(38-24-21-34(22-25-38)43-12-7-14-49-46-10-2-5-17-52(46)59-55(43)49)39-26-29-42-37(32-39)20-19-35-31-36(23-28-41(35)42)44-13-8-15-50-48-11-3-6-18-54(48)60-56(44)50;1-4-16-51-43(9-1)45-30-29-40(33-53(45)58-51)57(38-26-23-34(24-27-38)41-12-7-14-47-44-10-2-5-17-52(44)59-55(41)47)39-28-25-36-20-19-35-21-22-37(31-49(35)50(36)32-39)42-13-8-15-48-46-11-3-6-18-54(46)60-56(42)48;1-4-16-49-43(9-1)45-32-31-40(33-51(45)56-49)55(39-29-25-36(26-30-39)41-12-7-14-47-44-10-2-5-17-50(44)57-53(41)47)38-27-23-35(24-28-38)34-19-21-37(22-20-34)42-13-8-15-48-46-11-3-6-18-52(46)58-54(42)48/h2*1-33H;1-33H
InChIKeyWQRLRQQDHSPFBF-UHFFFAOYSA-N
MW2327.83 g/mol
LogP50.25
Rot. Bonds16

About 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

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 (PubChem CID 165090729) has the molecular formula C166H99N3O6S3 and a molecular weight of 2327.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID165090729
Molecular FormulaC166H99N3O6S3
Molecular Weight2327.83 g/mol
Exact Mass2325.67
IUPAC NameN-(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
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)ccc12
InChIInChI=1S/2C56H33NO2S.C54H33NO2S/c1-4-16-51-45(9-1)47-30-27-40(33-53(47)58-51)57(38-24-21-34(22-25-38)43-12-7-14-49-46-10-2-5-17-52(46)59-55(43)49)39-26-29-42-37(32-39)20-19-35-31-36(23-28-41(35)42)44-13-8-15-50-48-11-3-6-18-54(48)60-56(44)50;1-4-16-51-43(9-1)45-30-29-40(33-53(45)58-51)57(38-26-23-34(24-27-38)41-12-7-14-47-44-10-2-5-17-52(44)59-55(41)47)39-28-25-36-20-19-35-21-22-37(31-49(35)50(36)32-39)42-13-8-15-48-46-11-3-6-18-54(46)60-56(42)48;1-4-16-49-43(9-1)45-32-31-40(33-51(45)56-49)55(39-29-25-36(26-30-39)41-12-7-14-47-44-10-2-5-17-50(44)57-53(41)47)38-27-23-35(24-28-38)34-19-21-37(22-20-34)42-13-8-15-48-46-11-3-6-18-52(46)58-54(42)48/h2*1-33H;1-33H
InChIKeyWQRLRQQDHSPFBF-UHFFFAOYSA-N
XLogP50.25
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.83
LogP ≤ 550.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-(7-dibenzofuran-4-ylphenanthren-2-yl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164966685
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
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
CID 168805153
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
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
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)oc1cc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)ccc12.
What is the InChIKey of 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?
The InChIKey is WQRLRQQDHSPFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H33NO2S.C54H33NO2S/c1-4-16-51-45(9-1)47-30-27-40(33-53(47)58-51)57(38-24-21-34(22-25-38)43-12-7-14-49-46-10-2-5-17-52(46)59-55(43)49)39-26-29-42-37(32-39)20-19-35-31-36(23-28-41(35)42)44-13-8-15-50-48-11-3-6-18-54(48)60-56(44)50;1-4-16-51-43(9-1)45-30-29-40(33-53(45)58-51)57(38-26-23-34(24-27-38)41-12-7-14-47-44-10-2-5-17-52(44)59-55(41)47)39-28-25-36-20-19-35-21-22-37(31-49(35)50(36)32-39)42-13-8-15-48-46-11-3-6-18-54(46)60-56(42)48;1-4-16-49-43(9-1)45-32-31-40(33-51(45)56-49)55(39-29-25-36(26-30-39)41-12-7-14-47-44-10-2-5-17-50(44)57-53(41)47)38-27-23-35(24-28-38)34-19-21-37(22-20-34)42-13-8-15-48-46-11-3-6-18-52(46)58-54(42)48/h2*1-33H;1-33H.
What are the key properties of 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?
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 has a molecular weight of 2327.83 g/mol, XLogP of 50.25, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).