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

C85H72GeN4O — CID 140849182

IUPAC5,5,18,31,31-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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c-3cc3c4c2Oc2c5c(cc6c2[Ge]4(c2ccccc2)c2c(cc(C)cc2N6c2ccc(C)cc2)N3c2ccc(C)cc2)-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C5(C)C)cc1
InChIInChI=1S/C85H72GeN4O/c1-51-17-29-59(30-18-51)87(60-31-19-52(2)20-32-60)65-41-43-67-69-49-75-80-82(77(69)84(8,9)71(67)47-65)91-83-78-70(68-44-42-66(48-72(68)85(78,10)11)88(61-33-21-53(3)22-34-61)62-35-23-54(4)24-36-62)50-76-81(83)86(80,58-15-13-12-14-16-58)79-73(89(75)63-37-25-55(5)26-38-63)45-57(7)46-74(79)90(76)64-39-27-56(6)28-40-64/h12-50H,1-11H3
InChIKeyPOQMBAFZMFWDJW-UHFFFAOYSA-N
MW1238.15 g/mol
LogP20.45
Rot. Bonds9

About 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

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 (PubChem CID 140849182) has the molecular formula C85H72GeN4O and a molecular weight of 1238.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5,18,31,31-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
PubChem CID140849182
Molecular FormulaC85H72GeN4O
Molecular Weight1238.15 g/mol
Exact Mass1238.49
IUPAC Name5,5,18,31,31-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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c-3cc3c4c2Oc2c5c(cc6c2[Ge]4(c2ccccc2)c2c(cc(C)cc2N6c2ccc(C)cc2)N3c2ccc(C)cc2)-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C5(C)C)cc1
InChIInChI=1S/C85H72GeN4O/c1-51-17-29-59(30-18-51)87(60-31-19-52(2)20-32-60)65-41-43-67-69-49-75-80-82(77(69)84(8,9)71(67)47-65)91-83-78-70(68-44-42-66(48-72(68)85(78,10)11)88(61-33-21-53(3)22-34-61)62-35-23-54(4)24-36-62)50-76-81(83)86(80,58-15-13-12-14-16-58)79-73(89(75)63-37-25-55(5)26-38-63)45-57(7)46-74(79)90(76)64-39-27-56(6)28-40-64/h12-50H,1-11H3
InChIKeyPOQMBAFZMFWDJW-UHFFFAOYSA-N
XLogP20.45
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.15
LogP ≤ 520.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4,5,6,7-tetrachloro-5',5',18',31',31'-pentamethyl-8-N',8-N',28-N',28-N',15',21'-hexakis(4-methylphenyl)spiro[1,3,2λ5-benzodioxabismole-2,1'-36-oxa-15,21-diaza-1λ5-bismadecacyclo[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 140848892
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
4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
CID 140848795
6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-8,14,22-triaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 134317484
6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 134317473
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
4,15,18,18,27,27,33,33,42,42,45-undecamethyl-24-N,24-N-bis(4-methylphenyl)-36-N,36-N-diphenyl-30-oxa-1,11-diaza-8-phosphatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
CID 134317538
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c-3cc3c4c2Oc2c5c(cc6c2[Ge]4(c2ccccc2)c2c(cc(C)cc2N6c2ccc(C)cc2)N3c2ccc(C)cc2)-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C5(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is POQMBAFZMFWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H72GeN4O/c1-51-17-29-59(30-18-51)87(60-31-19-52(2)20-32-60)65-41-43-67-69-49-75-80-82(77(69)84(8,9)71(67)47-65)91-83-78-70(68-44-42-66(48-72(68)85(78,10)11)88(61-33-21-53(3)22-34-61)62-35-23-54(4)24-36-62)50-76-81(83)86(80,58-15-13-12-14-16-58)79-73(89(75)63-37-25-55(5)26-38-63)45-57(7)46-74(79)90(76)64-39-27-56(6)28-40-64/h12-50H,1-11H3.
What are the key properties of 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?
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 has a molecular weight of 1238.15 g/mol, XLogP of 20.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140849182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).