benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

C84H88Br4O4 — CID 139119124

IUPACbenzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCOC1(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)[C@](OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)C(OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)[C@](OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc1c2.c1ccccc1.c1ccccc1
InChIInChI=1S/C72H76Br4O4.2C6H6/c1-65(2,3)45-17-25-49(26-18-45)69(77-13)53-33-55(39-61(73)37-53)70(78-14,50-27-19-46(20-28-50)66(4,5)6)57-35-59(43-63(75)41-57)72(80-16,52-31-23-48(24-32-52)68(10,11)12)60-36-58(42-64(76)44-60)71(79-15,56-34-54(69)38-62(74)40-56)51-29-21-47(22-30-51)67(7,8)9;2*1-2-4-6-5-3-1/h17-44H,1-16H3;2*1-6H/t69-,70?,71?,72+;;
InChIKeyXVWNGHKGZFYUMS-ZHUKHTKASA-N
MW1481.24 g/mol
LogP23.37
Rot. Bonds8

About benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (PubChem CID 139119124) has the molecular formula C84H88Br4O4 and a molecular weight of 1481.24 g/mol. Its IUPAC name is benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Namebenzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
PubChem CID139119124
Molecular FormulaC84H88Br4O4
Molecular Weight1481.24 g/mol
Exact Mass1476.34
IUPAC Namebenzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCOC1(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)[C@](OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)C(OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)[C@](OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc1c2.c1ccccc1.c1ccccc1
InChIInChI=1S/C72H76Br4O4.2C6H6/c1-65(2,3)45-17-25-49(26-18-45)69(77-13)53-33-55(39-61(73)37-53)70(78-14,50-27-19-46(20-28-50)66(4,5)6)57-35-59(43-63(75)41-57)72(80-16,52-31-23-48(24-32-52)68(10,11)12)60-36-58(42-64(76)44-60)71(79-15,56-34-54(69)38-62(74)40-56)51-29-21-47(22-30-51)67(7,8)9;2*1-2-4-6-5-3-1/h17-44H,1-16H3;2*1-6H/t69-,70?,71?,72+;;
InChIKeyXVWNGHKGZFYUMS-ZHUKHTKASA-N
XLogP23.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001481.24
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene with MolForge

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Related Compounds

3-(4-Bromophenyl)-6-[4-[4-(4-bromophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene
CID 101569384
1,3,5-Tris[4-[4-(4-bromophenyl)-1,4-bis(methoxymethoxy)cyclohexyl]phenyl]benzene
CID 102200829
7-Bromo-6,9,18,21,26,29-hexamethoxynonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),7,10(44),11,13(43),14(42),15,17(41),19,22,24,27,30,33,35,37,39,45-henicosaene
CID 102309498
2,4-Bis[bis(4-tert-butylphenyl)-methoxymethyl]-3-methyl-1,5-di(propan-2-yl)benzene
CID 134882297
2,4-Bis[bis(4-tert-butylphenyl)-methoxymethyl]-1,3,5-trimethylbenzene
CID 134882299
1,5-Bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene
CID 134882300
1,5-Bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-di(propan-2-yl)benzene
CID 134882301
5,13,19,25-Tetrakis[4-[4-(4-bromophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17(22),18,20,23(28),24,26-dodecaene
CID 134957061
2-[(4-Bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene
CID 146167530
1,3,5-Tris[4-(4-bromophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]benzene
CID 146168565
8,11,17,20,31,34-Hexamethoxydecacyclo[12.12.8.24,7.28,11.217,20.221,24.227,30.231,34.13,25.112,16]octatetraconta-1(26),2,4,6,9,12,14,16(44),18,21(41),22,24(40),25(39),27(38),28,30(37),32,35,42,45,47-henicosaene
CID 146168566
3,6-Bis[4-[4-(4-bromophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene
CID 155930542

Frequently Asked Questions

What is the IUPAC name of benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The IUPAC name of benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (CID 139119124) is benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.
What is the SMILES notation for benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The canonical SMILES for benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is COC1(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)[C@](OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)C(OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc(c2)[C@](OC)(c2ccc(C(C)(C)C)cc2)c2cc(Br)cc1c2.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The InChIKey is XVWNGHKGZFYUMS-ZHUKHTKASA-N. The full InChI is InChI=1S/C72H76Br4O4.2C6H6/c1-65(2,3)45-17-25-49(26-18-45)69(77-13)53-33-55(39-61(73)37-53)70(78-14,50-27-19-46(20-28-50)66(4,5)6)57-35-59(43-63(75)41-57)72(80-16,52-31-23-48(24-32-52)68(10,11)12)60-36-58(42-64(76)44-60)71(79-15,56-34-54(69)38-62(74)40-56)51-29-21-47(22-30-51)67(7,8)9;2*1-2-4-6-5-3-1/h17-44H,1-16H3;2*1-6H/t69-,70?,71?,72+;;.
What are the key properties of benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene has a molecular weight of 1481.24 g/mol, XLogP of 23.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5,11,17,23-tetrabromo-2,8,14,20-tetrakis(4-tert-butylphenyl)-2,8,14,20-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 139119124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).