6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C116H84N4O2S4 — CID 160605389

IUPAC6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4c(c2)oc2ccccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4sc5ccccc5c4c2)ccc1-3
InChIInChI=1S/C58H42N2O2S.C58H42N2S3/c1-57(2)47-31-37(59(35-15-7-5-8-16-35)39-23-27-43-41-19-11-13-21-49(41)61-51(43)33-39)25-29-45(47)55-53(57)54-56(63-55)46-30-26-38(32-48(46)58(54,3)4)60(36-17-9-6-10-18-36)40-24-28-44-42-20-12-14-22-50(42)62-52(44)34-40;1-57(2)47-33-39(59(35-15-7-5-8-16-35)37-25-29-51-45(31-37)41-19-11-13-21-49(41)61-51)23-27-43(47)55-53(57)54-56(63-55)44-28-24-40(34-48(44)58(54,3)4)60(36-17-9-6-10-18-36)38-26-30-52-46(32-38)42-20-12-14-22-50(42)62-52/h2*5-34H,1-4H3
InChIKeyREUNBRCPGBOVCX-UHFFFAOYSA-N
MW1694.24 g/mol
LogP35.14
Rot. Bonds12

About 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 160605389) has the molecular formula C116H84N4O2S4 and a molecular weight of 1694.24 g/mol. Its IUPAC name is 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

Compound Name6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
PubChem CID160605389
Molecular FormulaC116H84N4O2S4
Molecular Weight1694.24 g/mol
Exact Mass1692.55
IUPAC Name6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4c(c2)oc2ccccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4sc5ccccc5c4c2)ccc1-3
InChIInChI=1S/C58H42N2O2S.C58H42N2S3/c1-57(2)47-31-37(59(35-15-7-5-8-16-35)39-23-27-43-41-19-11-13-21-49(41)61-51(43)33-39)25-29-45(47)55-53(57)54-56(63-55)46-30-26-38(32-48(46)58(54,3)4)60(36-17-9-6-10-18-36)40-24-28-44-42-20-12-14-22-50(42)62-52(44)34-40;1-57(2)47-33-39(59(35-15-7-5-8-16-35)37-25-29-51-45(31-37)41-19-11-13-21-49(41)61-51)23-27-43(47)55-53(57)54-56(63-55)44-28-24-40(34-48(44)58(54,3)4)60(36-17-9-6-10-18-36)38-26-30-52-46(32-38)42-20-12-14-22-50(42)62-52/h2*5-34H,1-4H3
InChIKeyREUNBRCPGBOVCX-UHFFFAOYSA-N
XLogP35.14
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.24
LogP ≤ 535.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-phenyl-N-(20,20,21,21-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-yl)dibenzofuran-3-amine
CID 163871161
6-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661077
N-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156550189
16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661071
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 156549342
16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661052
16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;16-N-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 159864535
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine;bis(N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine);N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161266358
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The IUPAC name of 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 160605389) is 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.
What is the SMILES notation for 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The canonical SMILES for 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4c(c2)oc2ccccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4sc5ccccc5c4c2)ccc1-3.
What is the InChIKey of 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The InChIKey is REUNBRCPGBOVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O2S.C58H42N2S3/c1-57(2)47-31-37(59(35-15-7-5-8-16-35)39-23-27-43-41-19-11-13-21-49(41)61-51(43)33-39)25-29-45(47)55-53(57)54-56(63-55)46-30-26-38(32-48(46)58(54,3)4)60(36-17-9-6-10-18-36)40-24-28-44-42-20-12-14-22-50(42)62-52(44)34-40;1-57(2)47-33-39(59(35-15-7-5-8-16-35)37-25-29-51-45(31-37)41-19-11-13-21-49(41)61-51)23-27-43(47)55-53(57)54-56(63-55)44-28-24-40(34-48(44)58(54,3)4)60(36-17-9-6-10-18-36)38-26-30-52-46(32-38)42-20-12-14-22-50(42)62-52/h2*5-34H,1-4H3.
What are the key properties of 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 1694.24 g/mol, XLogP of 35.14, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-di(dibenzofuran-3-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;6-N,16-N-di(dibenzothiophen-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 160605389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).