11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene

C78H52 — CID 153474141

IUPAC11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene
SMILESCC(C)(C)c1ccc(-c2c3cccc4c5cc(C(C)(C)C)ccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccccc9)c9cc(-c%10ccccc%10)cc%10c%11ccccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c59)c6c78)cc1
InChIInChI=1S/C78H52/c1-77(2,3)45-26-24-43(25-27-45)63-55-23-15-22-49-60-40-46(78(4,5)6)28-29-54(60)72(67(49)55)76-59-37-33-52-51-31-35-57-69-58(36-32-53(66(51)69)50-30-34-56(73(63)76)68(59)65(50)52)75-71-48-21-14-13-20-47(48)61-38-44(41-16-9-7-10-17-41)39-62(70(61)71)64(74(57)75)42-18-11-8-12-19-42/h7-40H,1-6H3
InChIKeyAMKYRVPIYLIDQQ-UHFFFAOYSA-N
MW989.27 g/mol
LogP22.62
Rot. Bonds3

About 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene

11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene (PubChem CID 153474141) has the molecular formula C78H52 and a molecular weight of 989.27 g/mol. Its IUPAC name is 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene.

Molecular Properties

Compound Name11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene
PubChem CID153474141
Molecular FormulaC78H52
Molecular Weight989.27 g/mol
Exact Mass988.41
IUPAC Name11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene
SMILESCC(C)(C)c1ccc(-c2c3cccc4c5cc(C(C)(C)C)ccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccccc9)c9cc(-c%10ccccc%10)cc%10c%11ccccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c59)c6c78)cc1
InChIInChI=1S/C78H52/c1-77(2,3)45-26-24-43(25-27-45)63-55-23-15-22-49-60-40-46(78(4,5)6)28-29-54(60)72(67(49)55)76-59-37-33-52-51-31-35-57-69-58(36-32-53(66(51)69)50-30-34-56(73(63)76)68(59)65(50)52)75-71-48-21-14-13-20-47(48)61-38-44(41-16-9-7-10-17-41)39-62(70(61)71)64(74(57)75)42-18-11-8-12-19-42/h7-40H,1-6H3
InChIKeyAMKYRVPIYLIDQQ-UHFFFAOYSA-N
XLogP22.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.27
LogP ≤ 522.62
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 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-tert-butyl-19-(4-tert-butylphenyl)-42-phenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene
CID 153474165
6-bromo-21-tert-butyl-13-(4-tert-butylphenyl)-16-methylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19(24),20,22-tridecaene
CID 146536643
22-tert-butyl-13-(3-tert-butylphenyl)-16-(2-phenylphenyl)heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19(24),20,22-tridecaene
CID 123357665
5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
CID 44518442
6,13,16-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene
CID 123300360
9,13-ditert-butyl-3,19-diphenylundecacyclo[22.12.2.17,11.125,29.02,20.04,18.06,16.021,37.034,38.015,40.033,39]tetraconta-1(36),2,4(18),5,7,9,11,13,15(40),16,19,21(37),22,24(38),25,27,29(39),30,32,34-icosaene
CID 123915756
19,42-bis(3,5-dimethylphenyl)-10,12,16,33,35,39-hexamethylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30(49),31,33,35,37,39,41,43,45,47,51-hexacosaene;16,39-dimethyl-11,34-di(propan-2-yl)-19,42-bis(4-propan-2-ylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene;16-naphthalen-1-yl-19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene;11,16,34,39-tetratert-butyl-19,42-bis(4-tert-butylphenyl)pentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1,3,5,7(50),8(13),9,11,14,16,18,20,22,24,26,28,30(49),31(36),32,34,37,39,41,43,45,47,51-hexacosaene
CID 159521440
6,32-ditert-butyl-17-(4-tert-butylphenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene
CID 153466628
22-tert-butyl-3,15-bis(3,5-ditert-butylphenyl)octacyclo[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 58068197
3,23-bis(4-tert-butylphenyl)decacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(36),2,4(22),5,7,9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaene
CID 140699497
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
22-(3,7-ditert-butylnaphthalen-1-yl)-3-phenyl-15-(2-phenylphenyl)octacyclo[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 58068265

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene?
The IUPAC name of 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene (CID 153474141) is 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene.
What is the SMILES notation for 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene?
The canonical SMILES for 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene is CC(C)(C)c1ccc(-c2c3cccc4c5cc(C(C)(C)C)ccc5c(c34)c3c4ccc5c6ccc7c8c(-c9ccccc9)c9cc(-c%10ccccc%10)cc%10c%11ccccc%11c(c9%10)c8c8ccc(c9ccc(c23)c4c59)c6c78)cc1.
What is the InChIKey of 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene?
The InChIKey is AMKYRVPIYLIDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52/c1-77(2,3)45-26-24-43(25-27-45)63-55-23-15-22-49-60-40-46(78(4,5)6)28-29-54(60)72(67(49)55)76-59-37-33-52-51-31-35-57-69-58(36-32-53(66(51)69)50-30-34-56(73(63)76)68(59)65(50)52)75-71-48-21-14-13-20-47(48)61-38-44(41-16-9-7-10-17-41)39-62(70(61)71)64(74(57)75)42-18-11-8-12-19-42/h7-40H,1-6H3.
What are the key properties of 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene?
11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene has a molecular weight of 989.27 g/mol, XLogP of 22.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-19-(4-tert-butylphenyl)-39,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8(13),9,11,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene is sourced from PubChem (CID 153474141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).