30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene

C86H48 — CID 154622183

About 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene

30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene (PubChem CID 154622183) has the molecular formula C86H48 and a molecular weight of 1081.33 g/mol. Its IUPAC name is 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene.

Molecular Properties

• Compound Name: 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene
• PubChem CID: 154622183
• Molecular Formula: C86H48
• Molecular Weight: 1081.33 g/mol
• Exact Mass: 1080.38
• IUPAC Name: 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene
• SMILES: c1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5ccc6c7c(ccc(c8ccc-4c2c83)c57)c2cc3c(-c4ccccc4-c4ccccc4)c4ccccc4c4c5ccccc5c(c26)c34)cc1
• InChI: InChI=1S/C86H48/c1-5-21-49(22-6-1)54-29-13-14-31-56(54)53-37-38-66-71(47-53)75(52-27-11-4-12-28-52)85-70-46-43-65-63-41-44-68-80-67(40-39-62(77(63)80)64-42-45-69(81(70)78(64)65)84(85)74(66)51-25-9-3-10-26-51)72-48-73-76(57-32-16-15-30-55(57)50-23-7-2-8-24-50)58-33-17-18-34-59(58)79-60-35-19-20-36-61(60)83(82(68)72)86(73)79/h1-48H
• InChIKey: JXTPIXWOLFNSBF-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.33
LogP ≤ 5	24.33
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-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene?

The IUPAC name of 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene (CID 154622183) is 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene.

What is the SMILES notation for 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene?

The canonical SMILES for 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene is c1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5ccc6c7c(ccc(c8ccc-4c2c83)c57)c2cc3c(-c4ccccc4-c4ccccc4)c4ccccc4c4c5ccccc5c(c26)c34)cc1.

What is the InChIKey of 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene?

The InChIKey is JXTPIXWOLFNSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H48/c1-5-21-49(22-6-1)54-29-13-14-31-56(54)53-37-38-66-71(47-53)75(52-27-11-4-12-28-52)85-70-46-43-65-63-41-44-68-80-67(40-39-62(77(63)80)64-42-45-69(81(70)78(64)65)84(85)74(66)51-25-9-3-10-26-51)72-48-73-76(57-32-16-15-30-55(57)50-23-7-2-8-24-50)58-33-17-18-34-59(58)79-60-35-19-20-36-61(60)83(82(68)72)86(73)79/h1-48H.

What are the key properties of 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene?

30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene has a molecular weight of 1081.33 g/mol, XLogP of 24.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 30,37-diphenyl-17,34-bis(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(45),2,4,6,8,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31(36),32,34,37,39,41,43,48-pentacosaene is sourced from PubChem (CID 154622183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).