32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene

C52H26 — CID 123528946

IUPAC32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene
SMILESc1ccc(-c2ccc3c(c2)=c2ccc4c5ccc6c7cc8c(cc7c7ccc(c9ccc=3c2c94)c5c76)cc2c3ccccc3c3cccc8c32)cc1
InChIInChI=1S/C52H26/c1-2-7-27(8-3-1)28-13-14-32-35-15-16-36-38-18-21-41-45-24-29-25-47-31-10-5-4-9-30(31)33-11-6-12-34(48(33)47)43(29)26-46(45)42-22-19-39(51(38)52(41)42)37-17-20-40(44(32)23-28)49(35)50(36)37/h1-26H
InChIKeyJGTNXPJZDYLKHJ-UHFFFAOYSA-N
MW650.78 g/mol
LogP14.09
Rot. Bonds1

About 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene

32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene (PubChem CID 123528946) has the molecular formula C52H26 and a molecular weight of 650.78 g/mol. Its IUPAC name is 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene.

Molecular Properties

Compound Name32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene
PubChem CID123528946
Molecular FormulaC52H26
Molecular Weight650.78 g/mol
Exact Mass650.20
IUPAC Name32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene
SMILESc1ccc(-c2ccc3c(c2)=c2ccc4c5ccc6c7cc8c(cc7c7ccc(c9ccc=3c2c94)c5c76)cc2c3ccccc3c3cccc8c32)cc1
InChIInChI=1S/C52H26/c1-2-7-27(8-3-1)28-13-14-32-35-15-16-36-38-18-21-41-45-24-29-25-47-31-10-5-4-9-30(31)33-11-6-12-34(48(33)47)43(29)26-46(45)42-22-19-39(51(38)52(41)42)37-17-20-40(44(32)23-28)49(35)50(36)37/h1-26H
InChIKeyJGTNXPJZDYLKHJ-UHFFFAOYSA-N
XLogP14.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene with MolForge

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Related Compounds

28-phenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2(20),3,5,7,9(34),10,12,14,16,18,21,23,25,27,29,31-heptadecaene
CID 123834956
6-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642860
3,19,29-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123525699
3,19,28-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123320260
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
7,12,21,27-tetraphenyloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2,4(30),5(10),6,8,11,13,15,17,19(24),20,22,25(29),26-pentadecaene
CID 58569961
25-(2-phenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1,3,5,7(17),8,10,12(34),13,15,18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 123683020
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
3,19-bis(4-phenylphenyl)tridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene
CID 159461885
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,11,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,15,21-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 159009907
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257

Frequently Asked Questions

What is the IUPAC name of 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene?
The IUPAC name of 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene (CID 123528946) is 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene.
What is the SMILES notation for 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene?
The canonical SMILES for 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene is c1ccc(-c2ccc3c(c2)=c2ccc4c5ccc6c7cc8c(cc7c7ccc(c9ccc=3c2c94)c5c76)cc2c3ccccc3c3cccc8c32)cc1.
What is the InChIKey of 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene?
The InChIKey is JGTNXPJZDYLKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26/c1-2-7-27(8-3-1)28-13-14-32-35-15-16-36-38-18-21-41-45-24-29-25-47-31-10-5-4-9-30(31)33-11-6-12-34(48(33)47)43(29)26-46(45)42-22-19-39(51(38)52(41)42)37-17-20-40(44(32)23-28)49(35)50(36)37/h1-26H.
What are the key properties of 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene?
32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene has a molecular weight of 650.78 g/mol, XLogP of 14.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 32-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1,3,5,7,9(46),10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-tricosaene is sourced from PubChem (CID 123528946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).