4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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

C72H80O16 — CID 102016946

IUPAC4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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
SMILESCOCCOc1ccc(C2c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc2c(OC)cc3OC)cc1
InChIInChI=1S/C72H80O16/c1-73-29-33-85-49-21-13-45(14-22-49)69-53-37-55(63(79-7)41-61(53)77-5)70(46-15-23-50(24-16-46)86-34-30-74-2)57-39-59(67(83-11)43-65(57)81-9)72(48-19-27-52(28-20-48)88-36-32-76-4)60-40-58(66(82-10)44-68(60)84-12)71(47-17-25-51(26-18-47)87-35-31-75-3)56-38-54(69)62(78-6)42-64(56)80-8/h13-28,37-44,69-72H,29-36H2,1-12H3
InChIKeyBPFNNMPQLFAECF-UHFFFAOYSA-N
MW1201.42 g/mol
LogP12.89
Rot. Bonds28

About 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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

4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 102016946) has the molecular formula C72H80O16 and a molecular weight of 1201.42 g/mol. Its IUPAC name is 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 Name4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 CID102016946
Molecular FormulaC72H80O16
Molecular Weight1201.42 g/mol
Exact Mass1200.54
IUPAC Name4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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
SMILESCOCCOc1ccc(C2c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc2c(OC)cc3OC)cc1
InChIInChI=1S/C72H80O16/c1-73-29-33-85-49-21-13-45(14-22-49)69-53-37-55(63(79-7)41-61(53)77-5)70(46-15-23-50(24-16-46)86-34-30-74-2)57-39-59(67(83-11)43-65(57)81-9)72(48-19-27-52(28-20-48)88-36-32-76-4)60-40-58(66(82-10)44-68(60)84-12)71(47-17-25-51(26-18-47)87-35-31-75-3)56-38-54(69)62(78-6)42-64(56)80-8/h13-28,37-44,69-72H,29-36H2,1-12H3
InChIKeyBPFNNMPQLFAECF-UHFFFAOYSA-N
XLogP12.89
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.42
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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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Frequently Asked Questions

What is the IUPAC name of 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 102016946) is 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 COCCOc1ccc(C2c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc(c(OC)cc3OC)C(c3ccc(OCCOC)cc3)c3cc2c(OC)cc3OC)cc1.
What is the InChIKey of 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 BPFNNMPQLFAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H80O16/c1-73-29-33-85-49-21-13-45(14-22-49)69-53-37-55(63(79-7)41-61(53)77-5)70(46-15-23-50(24-16-46)86-34-30-74-2)57-39-59(67(83-11)43-65(57)81-9)72(48-19-27-52(28-20-48)88-36-32-76-4)60-40-58(66(82-10)44-68(60)84-12)71(47-17-25-51(26-18-47)87-35-31-75-3)56-38-54(69)62(78-6)42-64(56)80-8/h13-28,37-44,69-72H,29-36H2,1-12H3.
What are the key properties of 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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?
4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 1201.42 g/mol, XLogP of 12.89, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetrakis[4-(2-methoxyethoxy)phenyl]pentacyclo[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 102016946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).