10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene

C80H44 — CID 153474279

About 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene

10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene (PubChem CID 153474279) has the molecular formula C80H44 and a molecular weight of 1005.23 g/mol. Its IUPAC name is 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene.

Molecular Properties

• Compound Name: 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene
• PubChem CID: 153474279
• Molecular Formula: C80H44
• Molecular Weight: 1005.23 g/mol
• Exact Mass: 1004.34
• IUPAC Name: 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene
• SMILES: c1ccc(-c2cccc(-c3c4cc5c(cc4c(-c4cccc(-c6ccccc6)c4)c4c6ccc7c8ccc9c%10c(ccc(c%11ccc(c34)c6c%117)c%108)-c3cc4ccccc4cc3-9)c3ccc(-c4ccccc4)c4cccc5c43)c2)cc1
• InChI: InChI=1S/C80H44/c1-4-15-45(16-5-1)48-23-12-25-52(39-48)72-70-43-68-56-28-14-27-55-54(47-19-8-3-9-20-47)29-30-61(74(55)56)69(68)44-71(70)73(53-26-13-24-49(40-53)46-17-6-2-7-18-46)80-65-38-36-60-58-32-34-63-67-42-51-22-11-10-21-50(51)41-66(67)62-33-31-57(75(58)77(62)63)59-35-37-64(79(72)80)78(65)76(59)60/h1-44H
• InChIKey: GLIUWGDLLSHMMY-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.23
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene?

The IUPAC name of 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene (CID 153474279) is 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene.

What is the SMILES notation for 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene?

The canonical SMILES for 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene is c1ccc(-c2cccc(-c3c4cc5c(cc4c(-c4cccc(-c6ccccc6)c4)c4c6ccc7c8ccc9c%10c(ccc(c%11ccc(c34)c6c%117)c%108)-c3cc4ccccc4cc3-9)c3ccc(-c4ccccc4)c4cccc5c43)c2)cc1.

What is the InChIKey of 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene?

The InChIKey is GLIUWGDLLSHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44/c1-4-15-45(16-5-1)48-23-12-25-52(39-48)72-70-43-68-56-28-14-27-55-54(47-19-8-3-9-20-47)29-30-61(74(55)56)69(68)44-71(70)73(53-26-13-24-49(40-53)46-17-6-2-7-18-46)80-65-38-36-60-58-32-34-63-67-42-51-22-11-10-21-50(51)41-66(67)62-33-31-57(75(58)77(62)63)59-35-37-64(79(72)80)78(65)76(59)60/h1-44H.

What are the key properties of 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene?

10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene has a molecular weight of 1005.23 g/mol, XLogP of 22.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene is sourced from PubChem (CID 153474279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).