N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C260H184N6O2S2 — CID 159466899

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Cc4c-5ccc5c4-c4ccccc4C5(C)C)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H40N2S.C55H43N.C54H35NO2.C52H37N.C42H29NS/c1-57(2)51-20-9-6-15-45(51)46-33-32-43(36-52(46)57)58(42-30-25-38(26-31-42)44-18-12-19-49-48-17-8-11-22-55(48)60-56(44)49)41-28-23-37(24-29-41)39-27-34-54-50(35-39)47-16-7-10-21-53(47)59(54)40-13-4-3-5-14-40;1-54(2)50-20-11-9-16-46(50)53-48-34-47-41(17-12-18-42(47)43(48)31-32-51(53)54)37-23-27-39(28-24-37)56(38-25-21-36(22-26-38)35-13-6-5-7-14-35)40-29-30-45-44-15-8-10-19-49(44)55(3,4)52(45)33-40;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;1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52;1-3-9-30(10-4-1)31-15-17-32(18-16-31)33-19-24-37(25-20-33)43(36-11-5-2-6-12-36)38-26-21-34(22-27-38)35-23-28-42-40(29-35)39-13-7-8-14-41(39)44-42/h3-36H,1-2H3;5-33H,34H2,1-4H3;1-35H;3-33H,1-2H3;1-29H
InChIKeyLVHLTQGIQPWXQF-UHFFFAOYSA-N
MW3488.51 g/mol
LogP72.56
Rot. Bonds28

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 159466899) has the molecular formula C260H184N6O2S2 and a molecular weight of 3488.51 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID159466899
Molecular FormulaC260H184N6O2S2
Molecular Weight3488.51 g/mol
Exact Mass3485.39
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Cc4c-5ccc5c4-c4ccccc4C5(C)C)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H40N2S.C55H43N.C54H35NO2.C52H37N.C42H29NS/c1-57(2)51-20-9-6-15-45(51)46-33-32-43(36-52(46)57)58(42-30-25-38(26-31-42)44-18-12-19-49-48-17-8-11-22-55(48)60-56(44)49)41-28-23-37(24-29-41)39-27-34-54-50(35-39)47-16-7-10-21-53(47)59(54)40-13-4-3-5-14-40;1-54(2)50-20-11-9-16-46(50)53-48-34-47-41(17-12-18-42(47)43(48)31-32-51(53)54)37-23-27-39(28-24-37)56(38-25-21-36(22-26-38)35-13-6-5-7-14-35)40-29-30-45-44-15-8-10-19-49(44)55(3,4)52(45)33-40;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;1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52;1-3-9-30(10-4-1)31-15-17-32(18-16-31)33-19-24-37(25-20-33)43(36-11-5-2-6-12-36)38-26-21-34(22-27-38)35-23-28-42-40(29-35)39-13-7-8-14-41(39)44-42/h3-36H,1-2H3;5-33H,34H2,1-4H3;1-35H;3-33H,1-2H3;1-29H
InChIKeyLVHLTQGIQPWXQF-UHFFFAOYSA-N
XLogP72.56
TPSA47.41 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms270
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003488.51
LogP ≤ 572.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 159466899) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Cc4c-5ccc5c4-c4ccccc4C5(C)C)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LVHLTQGIQPWXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2S.C55H43N.C54H35NO2.C52H37N.C42H29NS/c1-57(2)51-20-9-6-15-45(51)46-33-32-43(36-52(46)57)58(42-30-25-38(26-31-42)44-18-12-19-49-48-17-8-11-22-55(48)60-56(44)49)41-28-23-37(24-29-41)39-27-34-54-50(35-39)47-16-7-10-21-53(47)59(54)40-13-4-3-5-14-40;1-54(2)50-20-11-9-16-46(50)53-48-34-47-41(17-12-18-42(47)43(48)31-32-51(53)54)37-23-27-39(28-24-37)56(38-25-21-36(22-26-38)35-13-6-5-7-14-35)40-29-30-45-44-15-8-10-19-49(44)55(3,4)52(45)33-40;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;1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52;1-3-9-30(10-4-1)31-15-17-32(18-16-31)33-19-24-37(25-20-33)43(36-11-5-2-6-12-36)38-26-21-34(22-27-38)35-23-28-42-40(29-35)39-13-7-8-14-41(39)44-42/h3-36H,1-2H3;5-33H,34H2,1-4H3;1-35H;3-33H,1-2H3;1-29H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 3488.51 g/mol, XLogP of 72.56, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 159466899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).