30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene

C74H40 — CID 154622164

About 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene

30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene (PubChem CID 154622164) has the molecular formula C74H40 and a molecular weight of 929.13 g/mol. Its IUPAC name is 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene.

Molecular Properties

• Compound Name: 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene
• PubChem CID: 154622164
• Molecular Formula: C74H40
• Molecular Weight: 929.13 g/mol
• Exact Mass: 928.31
• IUPAC Name: 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene
• SMILES: c1ccc(-c2ccccc2-c2c3cc4ccccc4c4c5ccccc5c(c5c6ccc7c8ccc9c%10c(ccc(c%11ccc(c25)c6c%117)c%108)-c2c-9c(-c5ccccc5)c5ccccc5c2-c2ccccc2)c34)cc1
• InChI: InChI=1S/C74H40/c1-4-18-41(19-5-1)45-25-12-13-27-47(45)66-60-40-44-24-10-11-26-46(44)63-50-30-16-17-31-51(50)69(74(60)63)73-59-39-35-55-53-33-37-57-67-56(36-32-52(64(53)67)54-34-38-58(72(66)73)68(59)65(54)55)70-61(42-20-6-2-7-21-42)48-28-14-15-29-49(48)62(71(57)70)43-22-8-3-9-23-43/h1-40H
• InChIKey: YJHZFRMWMQWQEG-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.13
LogP ≤ 5	21.00
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 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene?

The IUPAC name of 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene (CID 154622164) is 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene.

What is the SMILES notation for 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene?

The canonical SMILES for 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene is c1ccc(-c2ccccc2-c2c3cc4ccccc4c4c5ccccc5c(c5c6ccc7c8ccc9c%10c(ccc(c%11ccc(c25)c6c%117)c%108)-c2c-9c(-c5ccccc5)c5ccccc5c2-c2ccccc2)c34)cc1.

What is the InChIKey of 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene?

The InChIKey is YJHZFRMWMQWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H40/c1-4-18-41(19-5-1)45-25-12-13-27-47(45)66-60-40-44-24-10-11-26-46(44)63-50-30-16-17-31-51(50)69(74(60)63)73-59-39-35-55-53-33-37-57-67-56(36-32-52(64(53)67)54-34-38-58(72(66)73)68(59)65(54)55)70-61(42-20-6-2-7-21-42)48-28-14-15-29-49(48)62(71(57)70)43-22-8-3-9-23-43/h1-40H.

What are the key properties of 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene?

30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene has a molecular weight of 929.13 g/mol, XLogP of 21.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 30,37-diphenyl-19-(2-phenylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene is sourced from PubChem (CID 154622164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).