17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene

C92H52N10 — CID 163974027

IUPAC17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene
SMILESc1ccc(-c2ccc(-c3cc4c5c(c3)n3c6cc7cc(-c8ccc9cc%10nc%11n(c%10cc9c8)c8cc(-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)cc9c8n%11c8nc%10cc%11ccccc%11cc%10n98)ccc7cc6nc3n5c3nc5cc6ccccc6cc5n43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C92H52N10/c1-5-17-53(18-6-1)63-34-36-72(73(39-63)56-23-11-4-12-24-56)69-49-83-87-84(50-69)99-81-47-67-37-61(29-31-65(67)43-77(81)95-91(99)101(87)89-93-75-41-57-25-13-15-27-59(57)45-79(75)97(83)89)62-30-32-66-44-78-82(48-68(66)38-62)100-86-52-70(74-40-64(54-19-7-2-8-20-54)33-35-71(74)55-21-9-3-10-22-55)51-85-88(86)102(92(100)96-78)90-94-76-42-58-26-14-16-28-60(58)46-80(76)98(85)90/h1-52H
InChIKeySSMSPKCMNDFGIV-UHFFFAOYSA-N
MW1297.50 g/mol
LogP22.86
Rot. Bonds7

About 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene

17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene (PubChem CID 163974027) has the molecular formula C92H52N10 and a molecular weight of 1297.50 g/mol. Its IUPAC name is 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene.

Molecular Properties

Compound Name17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene
PubChem CID163974027
Molecular FormulaC92H52N10
Molecular Weight1297.50 g/mol
Exact Mass1296.44
IUPAC Name17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene
SMILESc1ccc(-c2ccc(-c3cc4c5c(c3)n3c6cc7cc(-c8ccc9cc%10nc%11n(c%10cc9c8)c8cc(-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)cc9c8n%11c8nc%10cc%11ccccc%11cc%10n98)ccc7cc6nc3n5c3nc5cc6ccccc6cc5n43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C92H52N10/c1-5-17-53(18-6-1)63-34-36-72(73(39-63)56-23-11-4-12-24-56)69-49-83-87-84(50-69)99-81-47-67-37-61(29-31-65(67)43-77(81)95-91(99)101(87)89-93-75-41-57-25-13-15-27-59(57)45-79(75)97(83)89)62-30-32-66-44-78-82(48-68(66)38-62)100-86-52-70(74-40-64(54-19-7-2-8-20-54)33-35-71(74)55-21-9-3-10-22-55)51-85-88(86)102(92(100)96-78)90-94-76-42-58-26-14-16-28-60(58)46-80(76)98(85)90/h1-52H
InChIKeySSMSPKCMNDFGIV-UHFFFAOYSA-N
XLogP22.86
TPSA78.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.50
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene with MolForge

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Related Compounds

13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
CID 161365528
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 154624109
1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.05,10.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15(33),16,18,21,23,25,27,29,31-pentadecaene
CID 146652400
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole
CID 154624097
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400
2-naphthalen-2-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350

Frequently Asked Questions

What is the IUPAC name of 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene?
The IUPAC name of 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene (CID 163974027) is 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene.
What is the SMILES notation for 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene?
The canonical SMILES for 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene is c1ccc(-c2ccc(-c3cc4c5c(c3)n3c6cc7cc(-c8ccc9cc%10nc%11n(c%10cc9c8)c8cc(-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)cc9c8n%11c8nc%10cc%11ccccc%11cc%10n98)ccc7cc6nc3n5c3nc5cc6ccccc6cc5n43)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene?
The InChIKey is SSMSPKCMNDFGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H52N10/c1-5-17-53(18-6-1)63-34-36-72(73(39-63)56-23-11-4-12-24-56)69-49-83-87-84(50-69)99-81-47-67-37-61(29-31-65(67)43-77(81)95-91(99)101(87)89-93-75-41-57-25-13-15-27-59(57)45-79(75)97(83)89)62-30-32-66-44-78-82(48-68(66)38-62)100-86-52-70(74-40-64(54-19-7-2-8-20-54)33-35-71(74)55-21-9-3-10-22-55)51-85-88(86)102(92(100)96-78)90-94-76-42-58-26-14-16-28-60(58)46-80(76)98(85)90/h1-52H.
What are the key properties of 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene?
17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene has a molecular weight of 1297.50 g/mol, XLogP of 22.86, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene is sourced from PubChem (CID 163974027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).