5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene

C46H34N4 — CID 126682600

IUPAC5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene
SMILESCC1(C)c2c(-c3ccccn3)c3c(c(-c4ccccn4)c2-n2c4ccccc4c4cccc1c42)C(C)(C)c1cccc2c4ccccc4n-3c12
InChIInChI=1S/C46H34N4/c1-45(2)31-19-13-17-29-27-15-5-7-23-35(27)49(41(29)31)43-38(34-22-10-12-26-48-34)40-44(37(39(43)45)33-21-9-11-25-47-33)50-36-24-8-6-16-28(36)30-18-14-20-32(42(30)50)46(40,3)4/h5-26H,1-4H3
InChIKeyFXGFXXAILLXIHZ-UHFFFAOYSA-N
MW642.81 g/mol
LogP11.28
Rot. Bonds2

About 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene

5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene (PubChem CID 126682600) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene.

Molecular Properties

Compound Name5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene
PubChem CID126682600
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC Name5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene
SMILESCC1(C)c2c(-c3ccccn3)c3c(c(-c4ccccn4)c2-n2c4ccccc4c4cccc1c42)C(C)(C)c1cccc2c4ccccc4n-3c12
InChIInChI=1S/C46H34N4/c1-45(2)31-19-13-17-29-27-15-5-7-23-35(27)49(41(29)31)43-38(34-22-10-12-26-48-34)40-44(37(39(43)45)33-21-9-11-25-47-33)50-36-24-8-6-16-28(36)30-18-14-20-32(42(30)50)46(40,3)4/h5-26H,1-4H3
InChIKeyFXGFXXAILLXIHZ-UHFFFAOYSA-N
XLogP11.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene with MolForge

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Related Compounds

13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545787
5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]
CID 129264585
5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158216834
12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122464128
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene
CID 71023200
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 90278208
4-bromo-7,7-dimethyl-3-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaene
CID 71023324
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
CID 138579860
13-phenyl-13-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 154028258

Frequently Asked Questions

What is the IUPAC name of 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene?
The IUPAC name of 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene (CID 126682600) is 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene.
What is the SMILES notation for 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene?
The canonical SMILES for 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene is CC1(C)c2c(-c3ccccn3)c3c(c(-c4ccccn4)c2-n2c4ccccc4c4cccc1c42)C(C)(C)c1cccc2c4ccccc4n-3c12.
What is the InChIKey of 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene?
The InChIKey is FXGFXXAILLXIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c1-45(2)31-19-13-17-29-27-15-5-7-23-35(27)49(41(29)31)43-38(34-22-10-12-26-48-34)40-44(37(39(43)45)33-21-9-11-25-47-33)50-36-24-8-6-16-28(36)30-18-14-20-32(42(30)50)46(40,3)4/h5-26H,1-4H3.
What are the key properties of 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene?
5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene has a molecular weight of 642.81 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene is sourced from PubChem (CID 126682600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).