5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol

C58H48N4O5 — CID 137309359

IUPAC5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
SMILESCc1cc2c(O)c(c1)Cc1cc(-c3ccc(-c4ccccn4)nc3)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(-c3ccc(-c4ccccn4)nc3)cc(c1O)Cc1cc(C)cc(c1O)C2
InChIInChI=1S/C58H48N4O5/c1-33-16-40-26-41-17-34(2)19-43(55(41)64)28-47-23-39(37-11-13-53(62-32-37)51-9-5-7-15-60-51)25-49(58(47)67)30-45-21-35(3)20-44(56(45)65)29-48-24-38(22-46(57(48)66)27-42(18-33)54(40)63)36-10-12-52(61-31-36)50-8-4-6-14-59-50/h4-25,31-32,63-67H,26-30H2,1-3H3
InChIKeyGIEBKHOJXCCACC-UHFFFAOYSA-N
MW881.05 g/mol
LogP11.66
Rot. Bonds4

About 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol

5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol (PubChem CID 137309359) has the molecular formula C58H48N4O5 and a molecular weight of 881.05 g/mol. Its IUPAC name is 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol.

Molecular Properties

Compound Name5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
PubChem CID137309359
Molecular FormulaC58H48N4O5
Molecular Weight881.05 g/mol
Exact Mass880.36
IUPAC Name5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
SMILESCc1cc2c(O)c(c1)Cc1cc(-c3ccc(-c4ccccn4)nc3)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(-c3ccc(-c4ccccn4)nc3)cc(c1O)Cc1cc(C)cc(c1O)C2
InChIInChI=1S/C58H48N4O5/c1-33-16-40-26-41-17-34(2)19-43(55(41)64)28-47-23-39(37-11-13-53(62-32-37)51-9-5-7-15-60-51)25-49(58(47)67)30-45-21-35(3)20-44(56(45)65)29-48-24-38(22-46(57(48)66)27-42(18-33)54(40)63)36-10-12-52(61-31-36)50-8-4-6-14-59-50/h4-25,31-32,63-67H,26-30H2,1-3H3
InChIKeyGIEBKHOJXCCACC-UHFFFAOYSA-N
XLogP11.66
TPSA152.71 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.05
LogP ≤ 511.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol with MolForge

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Related Compounds

3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
CID 162661295
3-(2-Phenyl-6-pyridin-2-yl-4-pyridinyl)phenol
CID 46887245
2-[2-[11,17,23-Tris[2-(diaminomethylideneamino)ethyl]-25,27-dihydroxy-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]-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]ethyl]guanidine
CID 45273300
5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]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-25,27-diol
CID 57345624
2-[6-(2-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091035
2-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091037
2-[6-(2-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091040
2-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091042
4-[2-[4-(4-Hydroxyphenyl)-2-pyridinyl]-4-pyridinyl]phenol
CID 137267214

Frequently Asked Questions

What is the IUPAC name of 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol?
The IUPAC name of 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol (CID 137309359) is 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol.
What is the SMILES notation for 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol?
The canonical SMILES for 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol is Cc1cc2c(O)c(c1)Cc1cc(-c3ccc(-c4ccccn4)nc3)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(-c3ccc(-c4ccccn4)nc3)cc(c1O)Cc1cc(C)cc(c1O)C2.
What is the InChIKey of 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol?
The InChIKey is GIEBKHOJXCCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N4O5/c1-33-16-40-26-41-17-34(2)19-43(55(41)64)28-47-23-39(37-11-13-53(62-32-37)51-9-5-7-15-60-51)25-49(58(47)67)30-45-21-35(3)20-44(56(45)65)29-48-24-38(22-46(57(48)66)27-42(18-33)54(40)63)36-10-12-52(61-31-36)50-8-4-6-14-59-50/h4-25,31-32,63-67H,26-30H2,1-3H3.
What are the key properties of 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol?
5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol has a molecular weight of 881.05 g/mol, XLogP of 11.66, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,23-trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol is sourced from PubChem (CID 137309359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).