2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol

C76H82O8 — CID 123811633

IUPAC2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol
SMILESOc1cc(O)c2cc1C(c1ccc(C3CCCCC3)cc1)c1cc(c(O)cc1O)C(c1ccc(C3CCCCC3)cc1)c1cc(c(O)cc1O)C(C1C=CC(C3CCCCC3)=CC1)c1cc(c(O)cc1O)C2c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C76H82O8/c77-65-41-67(79)59-37-57(65)73(53-29-21-49(22-30-53)45-13-5-1-6-14-45)58-38-60(68(80)42-66(58)78)75(55-33-25-51(26-34-55)47-17-9-3-10-18-47)62-40-64(72(84)44-70(62)82)76(56-35-27-52(28-36-56)48-19-11-4-12-20-48)63-39-61(69(81)43-71(63)83)74(59)54-31-23-50(24-32-54)46-15-7-2-8-16-46/h21-35,37-48,56,73-84H,1-20,36H2
InChIKeyQEUSEIUGQNTAJR-UHFFFAOYSA-N
MW1123.48 g/mol
LogP18.54
Rot. Bonds8

About 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol

2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol (PubChem CID 123811633) has the molecular formula C76H82O8 and a molecular weight of 1123.48 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol
PubChem CID123811633
Molecular FormulaC76H82O8
Molecular Weight1123.48 g/mol
Exact Mass1122.60
IUPAC Name2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol
SMILESOc1cc(O)c2cc1C(c1ccc(C3CCCCC3)cc1)c1cc(c(O)cc1O)C(c1ccc(C3CCCCC3)cc1)c1cc(c(O)cc1O)C(C1C=CC(C3CCCCC3)=CC1)c1cc(c(O)cc1O)C2c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C76H82O8/c77-65-41-67(79)59-37-57(65)73(53-29-21-49(22-30-53)45-13-5-1-6-14-45)58-38-60(68(80)42-66(58)78)75(55-33-25-51(26-34-55)47-17-9-3-10-18-47)62-40-64(72(84)44-70(62)82)76(56-35-27-52(28-36-56)48-19-11-4-12-20-48)63-39-61(69(81)43-71(63)83)74(59)54-31-23-50(24-32-54)46-15-7-2-8-16-46/h21-35,37-48,56,73-84H,1-20,36H2
InChIKeyQEUSEIUGQNTAJR-UHFFFAOYSA-N
XLogP18.54
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.48
LogP ≤ 518.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol?
The IUPAC name of 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol (CID 123811633) is 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol.
What is the SMILES notation for 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol?
The canonical SMILES for 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol is Oc1cc(O)c2cc1C(c1ccc(C3CCCCC3)cc1)c1cc(c(O)cc1O)C(c1ccc(C3CCCCC3)cc1)c1cc(c(O)cc1O)C(C1C=CC(C3CCCCC3)=CC1)c1cc(c(O)cc1O)C2c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol?
The InChIKey is QEUSEIUGQNTAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H82O8/c77-65-41-67(79)59-37-57(65)73(53-29-21-49(22-30-53)45-13-5-1-6-14-45)58-38-60(68(80)42-66(58)78)75(55-33-25-51(26-34-55)47-17-9-3-10-18-47)62-40-64(72(84)44-70(62)82)76(56-35-27-52(28-36-56)48-19-11-4-12-20-48)63-39-61(69(81)43-71(63)83)74(59)54-31-23-50(24-32-54)46-15-7-2-8-16-46/h21-35,37-48,56,73-84H,1-20,36H2.
What are the key properties of 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol?
2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol has a molecular weight of 1123.48 g/mol, XLogP of 18.54, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-8,14,20-tris(4-cyclohexylphenyl)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-dodecaene-4,6,10,12,16,18,22,24-octol is sourced from PubChem (CID 123811633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).