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

C52H40N2OS — CID 122661052

IUPAC16-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3
InChIInChI=1S/C52H40N2OS/c1-51(2)42-31-36(53(33-17-8-5-9-18-33)34-19-10-6-11-20-34)27-29-40(42)49-46(51)47-50(56-49)41-30-28-37(32-43(41)52(47,3)4)54(35-21-12-7-13-22-35)44-25-16-24-39-38-23-14-15-26-45(38)55-48(39)44/h5-32H,1-4H3
InChIKeyQGUHHTRYWOZMKQ-UHFFFAOYSA-N
MW740.97 g/mol
LogP15.20
Rot. Bonds6

About 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

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 (PubChem CID 122661052) has the molecular formula C52H40N2OS and a molecular weight of 740.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-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
PubChem CID122661052
Molecular FormulaC52H40N2OS
Molecular Weight740.97 g/mol
Exact Mass740.29
IUPAC Name16-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3
InChIInChI=1S/C52H40N2OS/c1-51(2)42-31-36(53(33-17-8-5-9-18-33)34-19-10-6-11-20-34)27-29-40(42)49-46(51)47-50(56-49)41-30-28-37(32-43(41)52(47,3)4)54(35-21-12-7-13-22-35)44-25-16-24-39-38-23-14-15-26-45(38)55-48(39)44/h5-32H,1-4H3
InChIKeyQGUHHTRYWOZMKQ-UHFFFAOYSA-N
XLogP15.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.97
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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-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
6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-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;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-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 159791448
5-N-dibenzofuran-4-yl-8,8,20-trimethyl-5-N,16-N,16-N-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633640
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
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
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
12-N,22-N-di(dibenzofuran-4-yl)-15,15,19,19-tetramethyl-12-N,22-N-diphenyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,22-diamine
CID 142355705
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3.
What is the InChIKey of 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?
The InChIKey is QGUHHTRYWOZMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2OS/c1-51(2)42-31-36(53(33-17-8-5-9-18-33)34-19-10-6-11-20-34)27-29-40(42)49-46(51)47-50(56-49)41-30-28-37(32-43(41)52(47,3)4)54(35-21-12-7-13-22-35)44-25-16-24-39-38-23-14-15-26-45(38)55-48(39)44/h5-32H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 740.97 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122661052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).