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

C64H48N2OS — CID 122661071

IUPAC16-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2ccccc2)ccc1-3
InChIInChI=1S/C64H48N2OS/c1-63(2)53-38-44(65(43-24-12-7-13-25-43)55-29-17-14-26-47(55)41-20-8-5-9-21-41)33-36-51(53)61-59(63)60-62(68-61)52-37-34-45(39-54(52)64(60,3)4)66(56-30-18-15-27-48(56)42-22-10-6-11-23-42)46-32-35-50-49-28-16-19-31-57(49)67-58(50)40-46/h5-40H,1-4H3
InChIKeyCUDVCOKSWXHVQE-UHFFFAOYSA-N
MW893.17 g/mol
LogP18.53
Rot. Bonds8

About 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

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 (PubChem CID 122661071) has the molecular formula C64H48N2OS and a molecular weight of 893.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-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
PubChem CID122661071
Molecular FormulaC64H48N2OS
Molecular Weight893.17 g/mol
Exact Mass892.35
IUPAC Name16-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2ccccc2)ccc1-3
InChIInChI=1S/C64H48N2OS/c1-63(2)53-38-44(65(43-24-12-7-13-25-43)55-29-17-14-26-47(55)41-20-8-5-9-21-41)33-36-51(53)61-59(63)60-62(68-61)52-37-34-45(39-54(52)64(60,3)4)66(56-30-18-15-27-48(56)42-22-10-6-11-23-42)46-32-35-50-49-28-16-19-31-57(49)67-58(50)40-46/h5-40H,1-4H3
InChIKeyCUDVCOKSWXHVQE-UHFFFAOYSA-N
XLogP18.53
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.17
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-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 122661115
6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-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 122661048
3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-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;3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(4-trimethylsilylphenyl)-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 159886579
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-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156550189
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788681
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158397284
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2ccccc2)ccc1-3.
What is the InChIKey of 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?
The InChIKey is CUDVCOKSWXHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2OS/c1-63(2)53-38-44(65(43-24-12-7-13-25-43)55-29-17-14-26-47(55)41-20-8-5-9-21-41)33-36-51(53)61-59(63)60-62(68-61)52-37-34-45(39-54(52)64(60,3)4)66(56-30-18-15-27-48(56)42-22-10-6-11-23-42)46-32-35-50-49-28-16-19-31-57(49)67-58(50)40-46/h5-40H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 893.17 g/mol, XLogP of 18.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).