6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene

C74H74 — CID 145474435

IUPAC6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
SMILESCC(C)(C)C1=CCC(c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3c2-c2ccc(C(C)(C)C)cc2)C=C1
InChIInChI=1S/C74H74/c1-70(2,3)47-28-20-43(21-29-47)60-52-18-16-17-19-53(52)61(44-22-30-48(31-23-44)71(4,5)6)67-56-40-41-58-65-57(39-38-55(64(56)65)66(60)67)68-62(45-24-32-49(33-25-45)72(7,8)9)54-37-36-51(74(13,14)15)42-59(54)63(69(58)68)46-26-34-50(35-27-46)73(10,11)12/h16-22,24-42,44H,23H2,1-15H3
InChIKeyKDZLLEKCAMXGAN-UHFFFAOYSA-N
MW963.41 g/mol
LogP21.65
Rot. Bonds4

About 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene

6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene (PubChem CID 145474435) has the molecular formula C74H74 and a molecular weight of 963.41 g/mol. Its IUPAC name is 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene.

Molecular Properties

Compound Name6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
PubChem CID145474435
Molecular FormulaC74H74
Molecular Weight963.41 g/mol
Exact Mass962.58
IUPAC Name6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
SMILESCC(C)(C)C1=CCC(c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3c2-c2ccc(C(C)(C)C)cc2)C=C1
InChIInChI=1S/C74H74/c1-70(2,3)47-28-20-43(21-29-47)60-52-18-16-17-19-53(52)61(44-22-30-48(31-23-44)71(4,5)6)67-56-40-41-58-65-57(39-38-55(64(56)65)66(60)67)68-62(45-24-32-49(33-25-45)72(7,8)9)54-37-36-51(74(13,14)15)42-59(54)63(69(58)68)46-26-34-50(35-27-46)73(10,11)12/h16-22,24-42,44H,23H2,1-15H3
InChIKeyKDZLLEKCAMXGAN-UHFFFAOYSA-N
XLogP21.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.41
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene with MolForge

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Related Compounds

18-tert-butyl-3,10-bis(3,5-ditert-butylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16(30),17,19,21,23,25(29),26-pentadecaene
CID 156677028
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
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
3,7,14,21,28,32,39,46-octakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4,6(29),7,9,11,13,15,17,19,21,23,25,27,30,32,34,36,38,40,42,44,46,48(52),49,53-heptacosaene
CID 140722712
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
6-(7-tert-butyl-5-methyl-4,5-dihydropyren-1-yl)-3,10,17,24-tetraphenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 145474423
3-bromo-7,12-bis(4-tert-butylphenyl)benzo[k]fluoranthene
CID 67349188
5,17-bis(3,5-ditert-butylphenyl)-26,33-diphenyldodecacyclo[22.13.2.27,10.02,20.04,18.06,16.08,15.09,12.021,38.025,34.027,32.035,39]hentetraconta-1(38),2,4(18),5,7,9,12,14,16,19,21,23,25,27,29,31,33,35(39),36,40-icosaene
CID 164838723
3,9-ditert-butyl-1,6-bis(4-tert-butylphenyl)-5,11-diphenyltetracene
CID 158976148
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
12-[5-tert-butyl-2-(4-tert-butylcyclohexa-2,4-dien-1-yl)phenyl]-4a,12a-dihydrochrysene
CID 91230153

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
The IUPAC name of 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene (CID 145474435) is 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene.
What is the SMILES notation for 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
The canonical SMILES for 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene is CC(C)(C)C1=CCC(c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3c2-c2ccc(C(C)(C)C)cc2)C=C1.
What is the InChIKey of 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
The InChIKey is KDZLLEKCAMXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H74/c1-70(2,3)47-28-20-43(21-29-47)60-52-18-16-17-19-53(52)61(44-22-30-48(31-23-44)71(4,5)6)67-56-40-41-58-65-57(39-38-55(64(56)65)66(60)67)68-62(45-24-32-49(33-25-45)72(7,8)9)54-37-36-51(74(13,14)15)42-59(54)63(69(58)68)46-26-34-50(35-27-46)73(10,11)12/h16-22,24-42,44H,23H2,1-15H3.
What are the key properties of 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene has a molecular weight of 963.41 g/mol, XLogP of 21.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-24-(4-tert-butylcyclohexa-2,4-dien-1-yl)-3,10,17-tris(4-tert-butylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene is sourced from PubChem (CID 145474435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).