3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine

C166H118N6O4S — CID 167643710

IUPAC3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine
SMILESC.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6(C)C)ccc34)ccc21.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccc(-c5ccccc5)c5ccccc45)ccc23)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6c6ccccc6c5c4)ccc23)cc1
InChIInChI=1S/C57H38N2OS.C54H34N2O2.C54H42N2O.CH4/c1-37-13-12-19-41(33-37)58(40-17-6-3-7-18-40)43-25-29-50-51-30-26-44(36-56(51)61-55(50)35-43)59(53-32-31-45(38-14-4-2-5-15-38)47-21-10-11-22-48(47)53)42-24-28-49-52-27-23-39-16-8-9-20-46(39)57(52)60-54(49)34-42;1-3-13-35(14-4-1)55(36-15-5-2-6-16-36)39-24-28-47-48-29-25-40(34-54(48)58-53(47)33-39)56(38-26-30-52-50(32-38)46-21-11-12-22-51(46)57-52)37-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)49(45)31-37;1-53(2)47-21-13-11-19-41(47)45-31-37(25-29-49(45)53)55(35-15-7-5-8-16-35)39-23-27-43-44-28-24-40(34-52(44)57-51(43)33-39)56(36-17-9-6-10-18-36)38-26-30-50-46(32-38)42-20-12-14-22-48(42)54(50,3)4;/h2-36H,1H3;1-34H;5-34H,1-4H3;1H4
InChIKeyPNOVMMHLGRTRGE-UHFFFAOYSA-N
MW2292.87 g/mol
LogP48.83
Rot. Bonds19

About 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine

3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine (PubChem CID 167643710) has the molecular formula C166H118N6O4S and a molecular weight of 2292.87 g/mol. Its IUPAC name is 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine
PubChem CID167643710
Molecular FormulaC166H118N6O4S
Molecular Weight2292.87 g/mol
Exact Mass2290.89
IUPAC Name3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine
SMILESC.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6(C)C)ccc34)ccc21.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccc(-c5ccccc5)c5ccccc45)ccc23)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6c6ccccc6c5c4)ccc23)cc1
InChIInChI=1S/C57H38N2OS.C54H34N2O2.C54H42N2O.CH4/c1-37-13-12-19-41(33-37)58(40-17-6-3-7-18-40)43-25-29-50-51-30-26-44(36-56(51)61-55(50)35-43)59(53-32-31-45(38-14-4-2-5-15-38)47-21-10-11-22-48(47)53)42-24-28-49-52-27-23-39-16-8-9-20-46(39)57(52)60-54(49)34-42;1-3-13-35(14-4-1)55(36-15-5-2-6-16-36)39-24-28-47-48-29-25-40(34-54(48)58-53(47)33-39)56(38-26-30-52-50(32-38)46-21-11-12-22-51(46)57-52)37-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)49(45)31-37;1-53(2)47-21-13-11-19-41(47)45-31-37(25-29-49(45)53)55(35-15-7-5-8-16-35)39-23-27-43-44-28-24-40(34-52(44)57-51(43)33-39)56(36-17-9-6-10-18-36)38-26-30-50-46(32-38)42-20-12-14-22-48(42)54(50,3)4;/h2-36H,1H3;1-34H;5-34H,1-4H3;1H4
InChIKeyPNOVMMHLGRTRGE-UHFFFAOYSA-N
XLogP48.83
TPSA72.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.87
LogP ≤ 548.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]triphenylen-2-amine;2-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N-naphthalen-1-yl-7-N-phenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine
CID 162050229
N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine
CID 157254590
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 161474432
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 160715324
5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 159702533
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 158392246
18-N-dibenzofuran-4-yl-5-N-(9,9-dimethylfluoren-2-yl)-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-naphthalen-2-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-phenanthren-2-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 159484484
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine?
The IUPAC name of 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine (CID 167643710) is 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine.
What is the SMILES notation for 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine?
The canonical SMILES for 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine is C.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6(C)C)ccc34)ccc21.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccc(-c5ccccc5)c5ccccc45)ccc23)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6c6ccccc6c5c4)ccc23)cc1.
What is the InChIKey of 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine?
The InChIKey is PNOVMMHLGRTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2OS.C54H34N2O2.C54H42N2O.CH4/c1-37-13-12-19-41(33-37)58(40-17-6-3-7-18-40)43-25-29-50-51-30-26-44(36-56(51)61-55(50)35-43)59(53-32-31-45(38-14-4-2-5-15-38)47-21-10-11-22-48(47)53)42-24-28-49-52-27-23-39-16-8-9-20-46(39)57(52)60-54(49)34-42;1-3-13-35(14-4-1)55(36-15-5-2-6-16-36)39-24-28-47-48-29-25-40(34-54(48)58-53(47)33-39)56(38-26-30-52-50(32-38)46-21-11-12-22-51(46)57-52)37-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)49(45)31-37;1-53(2)47-21-13-11-19-41(47)45-31-37(25-29-49(45)53)55(35-15-7-5-8-16-35)39-23-27-43-44-28-24-40(34-52(44)57-51(43)33-39)56(36-17-9-6-10-18-36)38-26-30-50-46(32-38)42-20-12-14-22-48(42)54(50,3)4;/h2-36H,1H3;1-34H;5-34H,1-4H3;1H4.
What are the key properties of 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine?
3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine has a molecular weight of 2292.87 g/mol, XLogP of 48.83, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-bis(9,9-dimethylfluoren-3-yl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzofuran-2-yl-3-N,3-N-diphenyl-7-N-triphenylen-2-yldibenzofuran-3,7-diamine;methane;3-N-(3-methylphenyl)-7-N-naphtho[1,2-b][1]benzofuran-9-yl-3-N-phenyl-7-N-(4-phenylnaphthalen-1-yl)dibenzothiophene-3,7-diamine is sourced from PubChem (CID 167643710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).