N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C154H97N3O5 — CID 160892086

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C64H40N2O2.C54H35NO2.C36H22O/c1-3-17-41(18-4-1)45-21-7-11-27-53(45)65(57-29-15-25-49-47-23-9-13-31-59(47)67-63(49)57)55-39-35-43-34-38-52-56(40-36-44-33-37-51(55)61(43)62(44)52)66(54-28-12-8-22-46(54)42-19-5-2-6-20-42)58-30-16-26-50-48-24-10-14-32-60(48)68-64(50)58;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-40H;1-35H;1-22H
InChIKeySOKFXEQQDCQQEK-UHFFFAOYSA-N
MW2069.49 g/mol
LogP44.66
Rot. Bonds17

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 160892086) has the molecular formula C154H97N3O5 and a molecular weight of 2069.49 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
PubChem CID160892086
Molecular FormulaC154H97N3O5
Molecular Weight2069.49 g/mol
Exact Mass2067.74
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C64H40N2O2.C54H35NO2.C36H22O/c1-3-17-41(18-4-1)45-21-7-11-27-53(45)65(57-29-15-25-49-47-23-9-13-31-59(47)67-63(49)57)55-39-35-43-34-38-52-56(40-36-44-33-37-51(55)61(43)62(44)52)66(54-28-12-8-22-46(54)42-19-5-2-6-20-42)58-30-16-26-50-48-24-10-14-32-60(48)68-64(50)58;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-40H;1-35H;1-22H
InChIKeySOKFXEQQDCQQEK-UHFFFAOYSA-N
XLogP44.66
TPSA75.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002069.49
LogP ≤ 544.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
CID 174285658
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(3-phenyl-4-pyren-1-ylphenyl)phenyl]aniline
CID 155121240
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
6-N-dibenzofuran-4-yl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N-dibenzofuran-4-yl-6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-6-N-phenyl-1-N-(2-phenylphenyl)pyrene-1,6-diamine;6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenyl-1-N-(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158167430
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 160892086) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is SOKFXEQQDCQQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2.C54H35NO2.C36H22O/c1-3-17-41(18-4-1)45-21-7-11-27-53(45)65(57-29-15-25-49-47-23-9-13-31-59(47)67-63(49)57)55-39-35-43-34-38-52-56(40-36-44-33-37-51(55)61(43)62(44)52)66(54-28-12-8-22-46(54)42-19-5-2-6-20-42)58-30-16-26-50-48-24-10-14-32-60(48)68-64(50)58;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-40H;1-35H;1-22H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 2069.49 g/mol, XLogP of 44.66, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 160892086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).