(2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

C68H68Br4O8 — CID 139198252

IUPAC(2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
SMILESCC[C@@H]1c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc1c(OCc1ccc(Br)cc1)cc2OC
InChIInChI=1S/C68H68Br4O8/c1-9-49-53-29-58(66(33-61(53)73-5)78-38-42-15-23-46(70)24-16-42)51(11-3)55-31-60(68(35-63(55)75-7)80-40-44-19-27-48(72)28-20-44)52(12-4)56-32-59(67(36-64(56)76-8)79-39-43-17-25-47(71)26-18-43)50(10-2)54-30-57(49)65(34-62(54)74-6)77-37-41-13-21-45(69)22-14-41/h13-36,49-52H,9-12,37-40H2,1-8H3/t49-,50-,51-,52-/m1/s1
InChIKeyDBWKUSGJBRYCTF-MELFUQDXSA-N
MW1332.90 g/mol
LogP19.57
Rot. Bonds20

About (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

(2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene (PubChem CID 139198252) has the molecular formula C68H68Br4O8 and a molecular weight of 1332.90 g/mol. Its IUPAC name is (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Name(2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
PubChem CID139198252
Molecular FormulaC68H68Br4O8
Molecular Weight1332.90 g/mol
Exact Mass1328.16
IUPAC Name(2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
SMILESCC[C@@H]1c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc1c(OCc1ccc(Br)cc1)cc2OC
InChIInChI=1S/C68H68Br4O8/c1-9-49-53-29-58(66(33-61(53)73-5)78-38-42-15-23-46(70)24-16-42)51(11-3)55-31-60(68(35-63(55)75-7)80-40-44-19-27-48(72)28-20-44)52(12-4)56-32-59(67(36-64(56)76-8)79-39-43-17-25-47(71)26-18-43)50(10-2)54-30-57(49)65(34-62(54)74-6)77-37-41-13-21-45(69)22-14-41/h13-36,49-52H,9-12,37-40H2,1-8H3/t49-,50-,51-,52-/m1/s1
InChIKeyDBWKUSGJBRYCTF-MELFUQDXSA-N
XLogP19.57
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001332.90
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
The IUPAC name of (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene (CID 139198252) is (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene.
What is the SMILES notation for (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
The canonical SMILES for (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene is CC[C@@H]1c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc(c(OCc3ccc(Br)cc3)cc2OC)[C@H](CC)c2cc1c(OCc1ccc(Br)cc1)cc2OC.
What is the InChIKey of (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
The InChIKey is DBWKUSGJBRYCTF-MELFUQDXSA-N. The full InChI is InChI=1S/C68H68Br4O8/c1-9-49-53-29-58(66(33-61(53)73-5)78-38-42-15-23-46(70)24-16-42)51(11-3)55-31-60(68(35-63(55)75-7)80-40-44-19-27-48(72)28-20-44)52(12-4)56-32-59(67(36-64(56)76-8)79-39-43-17-25-47(71)26-18-43)50(10-2)54-30-57(49)65(34-62(54)74-6)77-37-41-13-21-45(69)22-14-41/h13-36,49-52H,9-12,37-40H2,1-8H3/t49-,50-,51-,52-/m1/s1.
What are the key properties of (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
(2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene has a molecular weight of 1332.90 g/mol, XLogP of 19.57, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R,14R,20R)-4,10,16,22-tetrakis[(4-bromophenyl)methoxy]-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 139198252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).