18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene

C56H40N2O2 — CID 163934509

IUPAC18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene
SMILESCC1(C)c2cc3ccccc3cc2N(c2ccccc2)c2cc3c(cc21)oc1cc2c(cc13)oc1cc3c(cc12)N(c1ccccc1)c1cc2ccccc2cc1C3(C)C
InChIInChI=1S/C56H40N2O2/c1-55(2)43-23-33-15-11-13-17-35(33)25-47(43)57(37-19-7-5-8-20-37)49-27-39-41-29-52-42(30-51(41)59-53(39)31-45(49)55)40-28-50-46(32-54(40)60-52)56(3,4)44-24-34-16-12-14-18-36(34)26-48(44)58(50)38-21-9-6-10-22-38/h5-32H,1-4H3
InChIKeyRLOCVZVOLYIEJD-UHFFFAOYSA-N
MW772.95 g/mol
LogP16.01
Rot. Bonds2

About 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene

18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene (PubChem CID 163934509) has the molecular formula C56H40N2O2 and a molecular weight of 772.95 g/mol. Its IUPAC name is 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene.

Molecular Properties

Compound Name18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene
PubChem CID163934509
Molecular FormulaC56H40N2O2
Molecular Weight772.95 g/mol
Exact Mass772.31
IUPAC Name18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene
SMILESCC1(C)c2cc3ccccc3cc2N(c2ccccc2)c2cc3c(cc21)oc1cc2c(cc13)oc1cc3c(cc12)N(c1ccccc1)c1cc2ccccc2cc1C3(C)C
InChIInChI=1S/C56H40N2O2/c1-55(2)43-23-33-15-11-13-17-35(33)25-47(43)57(37-19-7-5-8-20-37)49-27-39-41-29-52-42(30-51(41)59-53(39)31-45(49)55)40-28-50-46(32-54(40)60-52)56(3,4)44-24-34-16-12-14-18-36(34)26-48(44)58(50)38-21-9-6-10-22-38/h5-32H,1-4H3
InChIKeyRLOCVZVOLYIEJD-UHFFFAOYSA-N
XLogP16.01
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene with MolForge

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Related Compounds

8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene
CID 163926050
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
2-(12,12-dimethyl-5-phenylbenzo[b]acridin-2-yl)-12-phenanthren-2-ylbenzo[b]phenoxazine
CID 155791112
2-dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine
CID 118122889
13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.029,34]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene
CID 147097625
10,11,28,29-tetramethyl-14,32-diphenyl-7,18,25,36-tetraoxa-14,32-diazanonacyclo[19.15.0.03,19.04,17.06,15.08,13.022,35.024,33.026,31]hexatriaconta-1(21),2,4,6(15),8(13),9,11,16,19,22,24(33),26(31),27,29,34-pentadecaene
CID 163448314
14-dibenzofuran-3-yl-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 144670341
7-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N-phenylphenanthren-2-amine
CID 146213041
17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 144635189
14-[9,10-diphenyl-6-(2,7,9,9-tetramethylacridin-10-yl)anthracen-2-yl]-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213328

Frequently Asked Questions

What is the IUPAC name of 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene?
The IUPAC name of 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene (CID 163934509) is 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene.
What is the SMILES notation for 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene?
The canonical SMILES for 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene is CC1(C)c2cc3ccccc3cc2N(c2ccccc2)c2cc3c(cc21)oc1cc2c(cc13)oc1cc3c(cc12)N(c1ccccc1)c1cc2ccccc2cc1C3(C)C.
What is the InChIKey of 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene?
The InChIKey is RLOCVZVOLYIEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O2/c1-55(2)43-23-33-15-11-13-17-35(33)25-47(43)57(37-19-7-5-8-20-37)49-27-39-41-29-52-42(30-51(41)59-53(39)31-45(49)55)40-28-50-46(32-54(40)60-52)56(3,4)44-24-34-16-12-14-18-36(34)26-48(44)58(50)38-21-9-6-10-22-38/h5-32H,1-4H3.
What are the key properties of 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene?
18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene has a molecular weight of 772.95 g/mol, XLogP of 16.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18,40,40-tetramethyl-7,29-diphenyl-22,44-dioxa-7,29-diazaundecacyclo[23.19.0.03,23.04,21.06,19.08,17.010,15.026,43.028,41.030,39.032,37]tetratetraconta-1(25),2,4,6(19),8,10,12,14,16,20,23,26,28(41),30,32,34,36,38,42-nonadecaene is sourced from PubChem (CID 163934509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).