5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C77H50GeN2O — CID 140849371

IUPAC5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCc1cc2c3c(c1)N(c1ccc4c(c1)C1(c5ccccc5-c5ccccc51)c1ccccc1-4)c1cc(C)cc4c1[Ge]3(c1ccccc1)c1c(cc(C)cc1N4c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)O2
InChIInChI=1S/C77H50GeN2O/c1-45-37-67-73-68(38-45)80(50-34-36-58-56-26-12-18-32-64(56)77(66(58)44-50)61-29-15-9-23-53(61)54-24-10-16-30-62(54)77)70-40-47(3)42-72-75(70)78(73,48-19-5-4-6-20-48)74-69(39-46(2)41-71(74)81-72)79(67)49-33-35-57-55-25-11-17-31-63(55)76(65(57)43-49)59-27-13-7-21-51(59)52-22-8-14-28-60(52)76/h4-44H,1-3H3
InChIKeyQBNAKIUAJDNDPK-UHFFFAOYSA-N
MW1091.87 g/mol
LogP16.35
Rot. Bonds3

About 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 140849371) has the molecular formula C77H50GeN2O and a molecular weight of 1091.87 g/mol. Its IUPAC name is 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
PubChem CID140849371
Molecular FormulaC77H50GeN2O
Molecular Weight1091.87 g/mol
Exact Mass1092.31
IUPAC Name5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCc1cc2c3c(c1)N(c1ccc4c(c1)C1(c5ccccc5-c5ccccc51)c1ccccc1-4)c1cc(C)cc4c1[Ge]3(c1ccccc1)c1c(cc(C)cc1N4c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)O2
InChIInChI=1S/C77H50GeN2O/c1-45-37-67-73-68(38-45)80(50-34-36-58-56-26-12-18-32-64(56)77(66(58)44-50)61-29-15-9-23-53(61)54-24-10-16-30-62(54)77)70-40-47(3)42-72-75(70)78(73,48-19-5-4-6-20-48)74-69(39-46(2)41-71(74)81-72)79(67)49-33-35-57-55-25-11-17-31-63(55)76(65(57)43-49)59-27-13-7-21-51(59)52-22-8-14-28-60(52)76/h4-44H,1-3H3
InChIKeyQBNAKIUAJDNDPK-UHFFFAOYSA-N
XLogP16.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.87
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

5,5,18,31,31-pentamethyl-8-N,8-N,28-N,28-N,15,21-hexakis(4-methylphenyl)-1-phenyl-36-oxa-15,21-diaza-1-germadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16,18,20(35),22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine
CID 140849182
CID 146495452
CID 146495452
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849494
5-phenyl-10-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)phenazine
CID 129308793
19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
CID 140848974
CID 144851814
CID 144851814
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
18,25-dimethyl-21-(4-methylphenyl)-N,N,15-triphenylspiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene-11,9'-fluorene]-2'-amine
CID 176862659
14-(9,9-diphenylfluoren-2-yl)-11-methyl-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 171764834

Frequently Asked Questions

What is the IUPAC name of 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 140849371) is 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is Cc1cc2c3c(c1)N(c1ccc4c(c1)C1(c5ccccc5-c5ccccc51)c1ccccc1-4)c1cc(C)cc4c1[Ge]3(c1ccccc1)c1c(cc(C)cc1N4c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)O2.
What is the InChIKey of 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is QBNAKIUAJDNDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H50GeN2O/c1-45-37-67-73-68(38-45)80(50-34-36-58-56-26-12-18-32-64(56)77(66(58)44-50)61-29-15-9-23-53(61)54-24-10-16-30-62(54)77)70-40-47(3)42-72-75(70)78(73,48-19-5-4-6-20-48)74-69(39-46(2)41-71(74)81-72)79(67)49-33-35-57-55-25-11-17-31-63(55)76(65(57)43-49)59-27-13-7-21-51(59)52-22-8-14-28-60(52)76/h4-44H,1-3H3.
What are the key properties of 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1091.87 g/mol, XLogP of 16.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 140849371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).