26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene

C66H64O4 — CID 139178167

IUPAC26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene
SMILESCCCOc1c2ccc3c1Cc1c(ccc(c1OCCC)Cc1ccc4c(c1OCCC)Cc1c(ccc(c1OCCC)C2)C4(c1ccccc1)c1ccccc1)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H64O4/c1-5-37-67-61-45-29-33-57-53(61)43-54-58(65(57,49-21-13-9-14-22-49)50-23-15-10-16-24-50)35-31-47(63(54)69-39-7-3)42-48-32-36-60-56(64(48)70-40-8-4)44-55-59(34-30-46(41-45)62(55)68-38-6-2)66(60,51-25-17-11-18-26-51)52-27-19-12-20-28-52/h9-36H,5-8,37-44H2,1-4H3
InChIKeyPRQUVBINGGFBPX-UHFFFAOYSA-N
MW921.23 g/mol
LogP14.91
Rot. Bonds16

About 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene

26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene (PubChem CID 139178167) has the molecular formula C66H64O4 and a molecular weight of 921.23 g/mol. Its IUPAC name is 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene.

Molecular Properties

Compound Name26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene
PubChem CID139178167
Molecular FormulaC66H64O4
Molecular Weight921.23 g/mol
Exact Mass920.48
IUPAC Name26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene
SMILESCCCOc1c2ccc3c1Cc1c(ccc(c1OCCC)Cc1ccc4c(c1OCCC)Cc1c(ccc(c1OCCC)C2)C4(c1ccccc1)c1ccccc1)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H64O4/c1-5-37-67-61-45-29-33-57-53(61)43-54-58(65(57,49-21-13-9-14-22-49)50-23-15-10-16-24-50)35-31-47(63(54)69-39-7-3)42-48-32-36-60-56(64(48)70-40-8-4)44-55-59(34-30-46(41-45)62(55)68-38-6-2)66(60,51-25-17-11-18-26-51)52-27-19-12-20-28-52/h9-36H,5-8,37-44H2,1-4H3
InChIKeyPRQUVBINGGFBPX-UHFFFAOYSA-N
XLogP14.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.23
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene 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

25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-4-amine
CID 164667012
4-bromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 102600959
25,27-bis(2-anthracen-9-yloxyethoxy)-26,28-dipropoxypentacyclo[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 102427600
1-phenyl-3-[[17-[(phenylcarbamoylamino)methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]urea
CID 15784518
1-phenyl-3-[(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methyl]urea
CID 102250772
diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
CID 15523207
5,11-bis[(E)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 50923338
5-[(Z)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101411586
2-methyl-9,10-dipropoxy-1,4-dihydroanthracene
CID 139881193
(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methanol
CID 101010259
5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101359029
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081

Frequently Asked Questions

What is the IUPAC name of 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene?
The IUPAC name of 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene (CID 139178167) is 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene.
What is the SMILES notation for 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene?
The canonical SMILES for 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene is CCCOc1c2ccc3c1Cc1c(ccc(c1OCCC)Cc1ccc4c(c1OCCC)Cc1c(ccc(c1OCCC)C2)C4(c1ccccc1)c1ccccc1)C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene?
The InChIKey is PRQUVBINGGFBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H64O4/c1-5-37-67-61-45-29-33-57-53(61)43-54-58(65(57,49-21-13-9-14-22-49)50-23-15-10-16-24-50)35-31-47(63(54)69-39-7-3)42-48-32-36-60-56(64(48)70-40-8-4)44-55-59(34-30-46(41-45)62(55)68-38-6-2)66(60,51-25-17-11-18-26-51)52-27-19-12-20-28-52/h9-36H,5-8,37-44H2,1-4H3.
What are the key properties of 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene?
26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene has a molecular weight of 921.23 g/mol, XLogP of 14.91, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene is sourced from PubChem (CID 139178167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).