6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene

C74H94N12O4 — CID 135407207

IUPAC6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene
SMILESCCCCc1cc2c(cc1CCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(CCCC)c(CCCC)cc41)-c1cc(CCCC)c(CCCC)cc1-3)c1c2N(Cc2ccccn2)CCOCCOCCOCCOCCN1Cc1ccccn1
InChIInChI=1S/C74H94N12O4/c1-7-13-23-51-43-59-60(44-52(51)24-14-8-2)68-77-67(59)78-69-61-45-53(25-15-9-3)55(27-17-11-5)47-63(61)71(80-69)82-73-65-66(74(84-73)83-72-64-48-56(28-18-12-6)54(26-16-10-4)46-62(64)70(79-68)81-72)86(50-58-30-20-22-32-76-58)34-36-88-38-40-90-42-41-89-39-37-87-35-33-85(65)49-57-29-19-21-31-75-57/h19-22,29-32,43-48H,7-18,23-28,33-42,49-50H2,1-6H3,(H2,77,78,79,80,81,82,83,84)
InChIKeyHQXVWBCSDCYBTN-UHFFFAOYSA-N
MW1215.65 g/mol
LogP15.65
Rot. Bonds22

About 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene

6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene (PubChem CID 135407207) has the molecular formula C74H94N12O4 and a molecular weight of 1215.65 g/mol. Its IUPAC name is 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene.

Molecular Properties

Compound Name6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene
PubChem CID135407207
Molecular FormulaC74H94N12O4
Molecular Weight1215.65 g/mol
Exact Mass1214.75
IUPAC Name6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene
SMILESCCCCc1cc2c(cc1CCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(CCCC)c(CCCC)cc41)-c1cc(CCCC)c(CCCC)cc1-3)c1c2N(Cc2ccccn2)CCOCCOCCOCCOCCN1Cc1ccccn1
InChIInChI=1S/C74H94N12O4/c1-7-13-23-51-43-59-60(44-52(51)24-14-8-2)68-77-67(59)78-69-61-45-53(25-15-9-3)55(27-17-11-5)47-63(61)71(80-69)82-73-65-66(74(84-73)83-72-64-48-56(28-18-12-6)54(26-16-10-4)46-62(64)70(79-68)81-72)86(50-58-30-20-22-32-76-58)34-36-88-38-40-90-42-41-89-39-37-87-35-33-85(65)49-57-29-19-21-31-75-57/h19-22,29-32,43-48H,7-18,23-28,33-42,49-50H2,1-6H3,(H2,77,78,79,80,81,82,83,84)
InChIKeyHQXVWBCSDCYBTN-UHFFFAOYSA-N
XLogP15.65
TPSA178.10 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.65
LogP ≤ 515.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene 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

8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
1-[4-[1-ethyl-4-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888685
1-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888686
(3S)-4-[8-(1H-indol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148793
(3R)-4-[8-(1H-indol-4-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148817
(3S)-4-[8-(1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148819
(3S)-4-[8-(1H-indol-4-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148840
4-[8-(1H-indol-4-yl)-2-morpholin-4-yl-7H-purin-6-yl]morpholine
CID 60148843
(3S)-4-[8-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148815
(3R)-4-[8-(1H-indol-6-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148818

Frequently Asked Questions

What is the IUPAC name of 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene?
The IUPAC name of 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene (CID 135407207) is 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene.
What is the SMILES notation for 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene?
The canonical SMILES for 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene is CCCCc1cc2c(cc1CCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(CCCC)c(CCCC)cc41)-c1cc(CCCC)c(CCCC)cc1-3)c1c2N(Cc2ccccn2)CCOCCOCCOCCOCCN1Cc1ccccn1.
What is the InChIKey of 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene?
The InChIKey is HQXVWBCSDCYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H94N12O4/c1-7-13-23-51-43-59-60(44-52(51)24-14-8-2)68-77-67(59)78-69-61-45-53(25-15-9-3)55(27-17-11-5)47-63(61)71(80-69)82-73-65-66(74(84-73)83-72-64-48-56(28-18-12-6)54(26-16-10-4)46-62(64)70(79-68)81-72)86(50-58-30-20-22-32-76-58)34-36-88-38-40-90-42-41-89-39-37-87-35-33-85(65)49-57-29-19-21-31-75-57/h19-22,29-32,43-48H,7-18,23-28,33-42,49-50H2,1-6H3,(H2,77,78,79,80,81,82,83,84).
What are the key properties of 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene?
6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene has a molecular weight of 1215.65 g/mol, XLogP of 15.65, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,15,16,24,25-hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene is sourced from PubChem (CID 135407207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).