8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene

C41H30GeN2O — CID 140848989

IUPAC8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene
SMILESCc1cc2c3c(c1)-n1c4ccc(C)cc4c4c(C)cc5c(c41)[Ge]3(c1ccccc1)c1c(cc(C)c3c4cc(C)ccc4n-2c13)O5
InChIInChI=1S/C41H30GeN2O/c1-21-11-13-29-27(15-21)35-24(4)19-33-38-40(35)43(29)31-17-23(3)18-32-37(31)42(38,26-9-7-6-8-10-26)39-34(45-33)20-25(5)36-28-16-22(2)12-14-30(28)44(32)41(36)39/h6-20H,1-5H3
InChIKeyWMULIFZEXZUKIK-UHFFFAOYSA-N
MW639.31 g/mol
LogP7.53
Rot. Bonds1

About 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene

8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene (PubChem CID 140848989) has the molecular formula C41H30GeN2O and a molecular weight of 639.31 g/mol. Its IUPAC name is 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene.

Molecular Properties

Compound Name8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene
PubChem CID140848989
Molecular FormulaC41H30GeN2O
Molecular Weight639.31 g/mol
Exact Mass640.16
IUPAC Name8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene
SMILESCc1cc2c3c(c1)-n1c4ccc(C)cc4c4c(C)cc5c(c41)[Ge]3(c1ccccc1)c1c(cc(C)c3c4cc(C)ccc4n-2c13)O5
InChIInChI=1S/C41H30GeN2O/c1-21-11-13-29-27(15-21)35-24(4)19-33-38-40(35)43(29)31-17-23(3)18-32-37(31)42(38,26-9-7-6-8-10-26)39-34(45-33)20-25(5)36-28-16-22(2)12-14-30(28)44(32)41(36)39/h6-20H,1-5H3
InChIKeyWMULIFZEXZUKIK-UHFFFAOYSA-N
XLogP7.53
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.31
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene with MolForge

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Related Compounds

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
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
5,18-dimethyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 146214385
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795219
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
9-(2,4-dimethylphenyl)-1,3-dimethylcarbazole
CID 146638363
9-(2,5-dimethylphenyl)-5,14,18-trimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 170280189
12-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 157204309
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole
CID 170367088

Frequently Asked Questions

What is the IUPAC name of 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene?
The IUPAC name of 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene (CID 140848989) is 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene.
What is the SMILES notation for 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene?
The canonical SMILES for 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene is Cc1cc2c3c(c1)-n1c4ccc(C)cc4c4c(C)cc5c(c41)[Ge]3(c1ccccc1)c1c(cc(C)c3c4cc(C)ccc4n-2c13)O5.
What is the InChIKey of 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene?
The InChIKey is WMULIFZEXZUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30GeN2O/c1-21-11-13-29-27(15-21)35-24(4)19-33-38-40(35)43(29)31-17-23(3)18-32-37(31)42(38,26-9-7-6-8-10-26)39-34(45-33)20-25(5)36-28-16-22(2)12-14-30(28)44(32)41(36)39/h6-20H,1-5H3.
What are the key properties of 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene?
8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene has a molecular weight of 639.31 g/mol, XLogP of 7.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene is sourced from PubChem (CID 140848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).