bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane

C58H38GeN6 — CID 59221906

IUPACbis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane
SMILESc1ccc(-c2cn3c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5nn(-c7ccccc7)c7c(-c8ccccc8)cn6c57)cc4c4nn(-c5ccccc5)c2c43)cc1
InChIInChI=1S/C58H38GeN6/c1-7-19-39(20-8-1)49-37-62-51-33-31-43(35-47(51)53-57(62)55(49)64(60-53)45-27-15-5-16-28-45)59(41-23-11-3-12-24-41,42-25-13-4-14-26-42)44-32-34-52-48(36-44)54-58-56(65(61-54)46-29-17-6-18-30-46)50(38-63(52)58)40-21-9-2-10-22-40/h1-38H
InChIKeyMBELNGXTIYTDPO-UHFFFAOYSA-N
MW891.59 g/mol
LogP10.76
Rot. Bonds8

About bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane

bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane (PubChem CID 59221906) has the molecular formula C58H38GeN6 and a molecular weight of 891.59 g/mol. Its IUPAC name is bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane.

Molecular Properties

Compound Namebis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane
PubChem CID59221906
Molecular FormulaC58H38GeN6
Molecular Weight891.59 g/mol
Exact Mass892.24
IUPAC Namebis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane
SMILESc1ccc(-c2cn3c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5nn(-c7ccccc7)c7c(-c8ccccc8)cn6c57)cc4c4nn(-c5ccccc5)c2c43)cc1
InChIInChI=1S/C58H38GeN6/c1-7-19-39(20-8-1)49-37-62-51-33-31-43(35-47(51)53-57(62)55(49)64(60-53)45-27-15-5-16-28-45)59(41-23-11-3-12-24-41,42-25-13-4-14-26-42)44-32-34-52-48(36-44)54-58-56(65(61-54)46-29-17-6-18-30-46)50(38-63(52)58)40-21-9-2-10-22-40/h1-38H
InChIKeyMBELNGXTIYTDPO-UHFFFAOYSA-N
XLogP10.76
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.59
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane with MolForge

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Related Compounds

9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
9-[[1-[[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155551077
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]indol-3-yl]-phenylmethyl]indole
CID 44511354
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-2-methylindol-3-yl]-phenylmethyl]-2-methylindole
CID 44583480
1,2-Bis(4-{[6-fluoro-3,4-dihydro-1h-carbazole-9(2h)-yl]methyl}-1h-1,2,3-triazol-1-yl)ethane
CID 134693602
1,2-Bis(4-{[6-fluoro-3,4-dihydro-1h-carbazole-9(2h)-yl]methyl}-1h-1,2,3-triazol-1-yl)propane
CID 134693606
1,2-Bis(4-{[6-fluoro-3,4-dihydro-1h-carbazole-9(2h)-yl]methyl}-1h-1,2,3-triazol-1-yl)butane
CID 134693610
1,2-Bis(4-{[6-fluoro-3,4-dihydro-1h-carbazole-9(2h)-yl]methyl}-1h-1,2,3-triazol-1-yl)pentane
CID 134693614
1,2-Bis(4-{[6-fluoro-3,4-dihydro-1h-carbazole-9(2h)-yl]methyl}-1h-1,2,3-triazol-1-yl)hexane
CID 134693617
9-[4-(3,5-Diphenylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]pyrido[3,4-b]indole
CID 58750687
3-Tert-butyl-1-[3-(3-tert-butylindol-1-yl)-5-[4-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]indole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 59227898
2-Tert-butyl-1-[3-(2-tert-butylindol-1-yl)-5-[4-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]indole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 59236781

Frequently Asked Questions

What is the IUPAC name of bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane?
The IUPAC name of bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane (CID 59221906) is bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane.
What is the SMILES notation for bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane?
The canonical SMILES for bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane is c1ccc(-c2cn3c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5nn(-c7ccccc7)c7c(-c8ccccc8)cn6c57)cc4c4nn(-c5ccccc5)c2c43)cc1.
What is the InChIKey of bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane?
The InChIKey is MBELNGXTIYTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38GeN6/c1-7-19-39(20-8-1)49-37-62-51-33-31-43(35-47(51)53-57(62)55(49)64(60-53)45-27-15-5-16-28-45)59(41-23-11-3-12-24-41,42-25-13-4-14-26-42)44-32-34-52-48(36-44)54-58-56(65(61-54)46-29-17-6-18-30-46)50(38-63(52)58)40-21-9-2-10-22-40/h1-38H.
What are the key properties of bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane?
bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane has a molecular weight of 891.59 g/mol, XLogP of 10.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane is sourced from PubChem (CID 59221906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).