16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene

C52H36O2 — CID 146383205

IUPAC16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
SMILESCc1ccccc1-c1ccc2c(c1C)-c1c(ccc3oc4ccccc4c13)-c1ccc3oc4ccccc4c3c1-c1c-2ccc(-c2ccccc2C)c1C
InChIInChI=1S/C52H36O2/c1-29-13-5-7-15-33(29)35-21-23-37-38-24-22-36(34-16-8-6-14-30(34)2)32(4)48(38)52-40(26-28-46-50(52)42-18-10-12-20-44(42)54-46)39-25-27-45-49(51(39)47(37)31(35)3)41-17-9-11-19-43(41)53-45/h5-28H,1-4H3/b38-37-,40-39-,51-47+,52-48+
InChIKeySCQZYZCJMCAHNC-VSQSZGOWSA-N
MW692.86 g/mol
LogP15.03
Rot. Bonds2

About 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene

16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene (PubChem CID 146383205) has the molecular formula C52H36O2 and a molecular weight of 692.86 g/mol. Its IUPAC name is 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene.

Molecular Properties

Compound Name16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
PubChem CID146383205
Molecular FormulaC52H36O2
Molecular Weight692.86 g/mol
Exact Mass692.27
IUPAC Name16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
SMILESCc1ccccc1-c1ccc2c(c1C)-c1c(ccc3oc4ccccc4c13)-c1ccc3oc4ccccc4c3c1-c1c-2ccc(-c2ccccc2C)c1C
InChIInChI=1S/C52H36O2/c1-29-13-5-7-15-33(29)35-21-23-37-38-24-22-36(34-16-8-6-14-30(34)2)32(4)48(38)52-40(26-28-46-50(52)42-18-10-12-20-44(42)54-46)39-25-27-45-49(51(39)47(37)31(35)3)41-17-9-11-19-43(41)53-45/h5-28H,1-4H3/b38-37-,40-39-,51-47+,52-48+
InChIKeySCQZYZCJMCAHNC-VSQSZGOWSA-N
XLogP15.03
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene with MolForge

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Related Compounds

6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
16,25-dimethyl-17,24-bis(2-methylphenyl)-5,36-dioxanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,37-octadecaene
CID 146383193
4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481542
ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 144645370
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-(2-phenylphenyl)dibenzofuran
CID 165169779
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
1-dibenzofuran-1-yl-N-[1-[3-methyl-2-(2-methylphenyl)phenyl]ethenyl]ethanimine
CID 145016899
4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481521

Frequently Asked Questions

What is the IUPAC name of 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene?
The IUPAC name of 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene (CID 146383205) is 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene.
What is the SMILES notation for 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene?
The canonical SMILES for 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene is Cc1ccccc1-c1ccc2c(c1C)-c1c(ccc3oc4ccccc4c13)-c1ccc3oc4ccccc4c3c1-c1c-2ccc(-c2ccccc2C)c1C.
What is the InChIKey of 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene?
The InChIKey is SCQZYZCJMCAHNC-VSQSZGOWSA-N. The full InChI is InChI=1S/C52H36O2/c1-29-13-5-7-15-33(29)35-21-23-37-38-24-22-36(34-16-8-6-14-30(34)2)32(4)48(38)52-40(26-28-46-50(52)42-18-10-12-20-44(42)54-46)39-25-27-45-49(51(39)47(37)31(35)3)41-17-9-11-19-43(41)53-45/h5-28H,1-4H3/b38-37-,40-39-,51-47+,52-48+.
What are the key properties of 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene?
16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene has a molecular weight of 692.86 g/mol, XLogP of 15.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene is sourced from PubChem (CID 146383205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).