6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine

C68H67N3OSi2 — CID 140764936

IUPAC6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c(oc5ccncc54)c2-3)cc1
InChIInChI=1S/C68H67N3OSi2/c1-66(2,3)44-21-25-46(26-22-44)70(47-29-34-51(35-30-47)73(7,8)9)50-33-38-55-59(41-50)68(57-19-15-13-17-53(57)54-18-14-16-20-58(54)68)60-42-61(64-56-43-69-40-39-62(56)72-65(64)63(55)60)71(48-27-23-45(24-28-48)67(4,5)6)49-31-36-52(37-32-49)74(10,11)12/h13-43H,1-12H3
InChIKeyCUWMOUUVYRUKEH-UHFFFAOYSA-N
MW998.48 g/mol
LogP17.95
Rot. Bonds8

About 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine

6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine (PubChem CID 140764936) has the molecular formula C68H67N3OSi2 and a molecular weight of 998.48 g/mol. Its IUPAC name is 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine
PubChem CID140764936
Molecular FormulaC68H67N3OSi2
Molecular Weight998.48 g/mol
Exact Mass997.48
IUPAC Name6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c(oc5ccncc54)c2-3)cc1
InChIInChI=1S/C68H67N3OSi2/c1-66(2,3)44-21-25-46(26-22-44)70(47-29-34-51(35-30-47)73(7,8)9)50-33-38-55-59(41-50)68(57-19-15-13-17-53(57)54-18-14-16-20-58(54)68)60-42-61(64-56-43-69-40-39-62(56)72-65(64)63(55)60)71(48-27-23-45(24-28-48)67(4,5)6)49-31-36-52(37-32-49)74(10,11)12/h13-43H,1-12H3
InChIKeyCUWMOUUVYRUKEH-UHFFFAOYSA-N
XLogP17.95
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.48
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine with MolForge

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Related Compounds

5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140764938
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3,5-dimethylphenyl)-5-N'-(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 165053097
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine
CID 174102647
7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 163567021
6-N,12-N-bis(4-tert-butylphenyl)-9,9-diphenyl-6-N,12-N-bis(4-trimethylsilylphenyl)-20-oxa-18-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-6,12-diamine
CID 140764978
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 126632930
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
5-N'-(4-tert-butyl-4-methylcyclohexa-1,5-dien-1-yl)-5-N',9-N',9-N'-tris(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 131993049
12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 158172755
9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethyl-9-(4-trimethylsilylphenyl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine
CID 163883040

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine (CID 140764936) is 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine is CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c(oc5ccncc54)c2-3)cc1.
What is the InChIKey of 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine?
The InChIKey is CUWMOUUVYRUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H67N3OSi2/c1-66(2,3)44-21-25-46(26-22-44)70(47-29-34-51(35-30-47)73(7,8)9)50-33-38-55-59(41-50)68(57-19-15-13-17-53(57)54-18-14-16-20-58(54)68)60-42-61(64-56-43-69-40-39-62(56)72-65(64)63(55)60)71(48-27-23-45(24-28-48)67(4,5)6)49-31-36-52(37-32-49)74(10,11)12/h13-43H,1-12H3.
What are the key properties of 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine?
6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine has a molecular weight of 998.48 g/mol, XLogP of 17.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine is sourced from PubChem (CID 140764936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).