1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine

C64H50GeN4OS — CID 176843534

IUPAC1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1Nc1cccc(Oc2cc3c4c5c(cccc5n(-c5cc(C(C)(C)C)ccn5)c4c2)[Ge]32c3ccccc3Sc3ccccc32)c1)c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C64H50GeN4OS/c1-64(2,3)44-36-37-66-60(38-44)69-56-33-19-30-52-61(56)62-53(65(52)50-28-11-15-34-58(50)71-59-35-16-12-29-51(59)65)40-47(41-57(62)69)70-46-25-17-24-45(39-46)67-54-31-13-14-32-55(54)68(4)63-48(42-20-7-5-8-21-42)26-18-27-49(63)43-22-9-6-10-23-43/h5-41,67H,1-4H3
InChIKeyGEFZBDZQFBLCTC-UHFFFAOYSA-N
MW995.81 g/mol
LogP14.27
Rot. Bonds9

About 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine

1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 176843534) has the molecular formula C64H50GeN4OS and a molecular weight of 995.81 g/mol. Its IUPAC name is 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID176843534
Molecular FormulaC64H50GeN4OS
Molecular Weight995.81 g/mol
Exact Mass996.29
IUPAC Name1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1Nc1cccc(Oc2cc3c4c5c(cccc5n(-c5cc(C(C)(C)C)ccn5)c4c2)[Ge]32c3ccccc3Sc3ccccc32)c1)c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C64H50GeN4OS/c1-64(2,3)44-36-37-66-60(38-44)69-56-33-19-30-52-61(56)62-53(65(52)50-28-11-15-34-58(50)71-59-35-16-12-29-51(59)65)40-47(41-57(62)69)70-46-25-17-24-45(39-46)67-54-31-13-14-32-55(54)68(4)63-48(42-20-7-5-8-21-42)26-18-27-49(63)43-22-9-6-10-23-43/h5-41,67H,1-4H3
InChIKeyGEFZBDZQFBLCTC-UHFFFAOYSA-N
XLogP14.27
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.81
LogP ≤ 514.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine with MolForge

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Related Compounds

2-N-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene-14,9'-thioxanthene]-3-yl]oxyphenyl]-2-N-methylbenzene-1,2-diamine
CID 176843825
1-N-[3-[[6-(4-tert-butyl-2-pyridinyl)-14,14-diphenyl-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-3-yl]oxy]phenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine
CID 176843949
CID 176843757
CID 176843757
CID 176843712
CID 176843712
1-N-[3-[[9-(4-tert-butyl-2-pyridinyl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaen-6-yl]oxy]phenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 176844591
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-5-phenylcarbazole
CID 155652581
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-(trideuteriomethyl)benzene-1,2-diamine
CID 164725490
3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine
CID 169057134
2-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-N-(2-cyclohepta-1,3,4,6-tetraen-1-yl-6-phenylphenyl)naphthalene-1,2-diamine
CID 164731524
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N,4,5-tris(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782780
4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole
CID 162771187
5-N-tert-butyl-4-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4,5-diamine
CID 176735542

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine (CID 176843534) is 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine is CN(c1ccccc1Nc1cccc(Oc2cc3c4c5c(cccc5n(-c5cc(C(C)(C)C)ccn5)c4c2)[Ge]32c3ccccc3Sc3ccccc32)c1)c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is GEFZBDZQFBLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50GeN4OS/c1-64(2,3)44-36-37-66-60(38-44)69-56-33-19-30-52-61(56)62-53(65(52)50-28-11-15-34-58(50)71-59-35-16-12-29-51(59)65)40-47(41-57(62)69)70-46-25-17-24-45(39-46)67-54-31-13-14-32-55(54)68(4)63-48(42-20-7-5-8-21-42)26-18-27-49(63)43-22-9-6-10-23-43/h5-41,67H,1-4H3.
What are the key properties of 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine?
1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 995.81 g/mol, XLogP of 14.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 176843534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).