5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene

C50H32 — CID 123521813

IUPAC5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene
SMILESCc1ccccc1-c1c2c(c(-c3ccccc3C)c3cc4c(cc13)C1=CC=CC3C=CC=C4C13)-c1cc3cccc4ccc5ccc-2c1c5c43
InChIInChI=1S/C50H32/c1-27-10-3-5-16-33(27)46-40-25-38-35-18-8-13-29-14-9-19-36(44(29)35)39(38)26-41(40)47(34-17-6-4-11-28(34)2)50-42-24-32-15-7-12-30-20-21-31-22-23-37(49(46)50)48(42)45(31)43(30)32/h3-26,29,44H,1-2H3
InChIKeyAZTAMZZEMUNYIQ-UHFFFAOYSA-N
MW632.81 g/mol
LogP13.49
Rot. Bonds2

About 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene

5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene (PubChem CID 123521813) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene.

Molecular Properties

Compound Name5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene
PubChem CID123521813
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene
SMILESCc1ccccc1-c1c2c(c(-c3ccccc3C)c3cc4c(cc13)C1=CC=CC3C=CC=C4C13)-c1cc3cccc4ccc5ccc-2c1c5c43
InChIInChI=1S/C50H32/c1-27-10-3-5-16-33(27)46-40-25-38-35-18-8-13-29-14-9-19-36(44(29)35)39(38)26-41(40)47(34-17-6-4-11-28(34)2)50-42-24-32-15-7-12-30-20-21-31-22-23-37(49(46)50)48(42)45(31)43(30)32/h3-26,29,44H,1-2H3
InChIKeyAZTAMZZEMUNYIQ-UHFFFAOYSA-N
XLogP13.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene with MolForge

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Related Compounds

3,25-diphenyl-13-propan-2-yldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4,6(22),7(36),8(21),9(18),10,12,14,16,19,23,25,27,29,32-heptadecaene
CID 123593060
3,10-bis(2-methylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
CID 59642501
3,19-bis(3,5-ditert-butylphenyl)-31-(2,6-dimethylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4,6(16),7,9,12,14,17,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39-henicosaene
CID 123563304
7,12-di(pyren-4-yl)benzo[k]fluoranthene
CID 123852618
3,10,17,20-tetra(pyren-4-yl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722753
3,26-bis(4-methylphenyl)-10-phenylundecacyclo[36.3.1.02,27.04,25.06,23.07,12.013,22.015,20.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7(12),8,10,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123786724
8-methyl-7,10-diphenyl-3a,10c-dihydrofluoranthene
CID 91553402
3,26-bis(4-phenylphenyl)undecacyclo[36.3.1.02,27.04,25.06,23.07,16.09,14.017,22.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7,9,11,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123212258
7,25-bis(2-methylphenyl)-14,32-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-methylphenyl)-14,25-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,25-dinaphthalen-2-yl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-dinaphthalen-2-yl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 159627390
3,14-bis(7-tert-butylpyren-1-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 58479802
18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene
CID 123784585
3,10-bis(2-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3,10-bis(3-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-1-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-2-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-1-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-2-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene
CID 160845252

Frequently Asked Questions

What is the IUPAC name of 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene?
The IUPAC name of 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene (CID 123521813) is 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene.
What is the SMILES notation for 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene?
The canonical SMILES for 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene is Cc1ccccc1-c1c2c(c(-c3ccccc3C)c3cc4c(cc13)C1=CC=CC3C=CC=C4C13)-c1cc3cccc4ccc5ccc-2c1c5c43.
What is the InChIKey of 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene?
The InChIKey is AZTAMZZEMUNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-27-10-3-5-16-33(27)46-40-25-38-35-18-8-13-29-14-9-19-36(44(29)35)39(38)26-41(40)47(34-17-6-4-11-28(34)2)50-42-24-32-15-7-12-30-20-21-31-22-23-37(49(46)50)48(42)45(31)43(30)32/h3-26,29,44H,1-2H3.
What are the key properties of 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene?
5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene has a molecular weight of 632.81 g/mol, XLogP of 13.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene is sourced from PubChem (CID 123521813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).