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

C52H36O2 — CID 146383193

IUPAC16,25-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
SMILESCc1ccccc1-c1ccc2c(c1C)-c1cc3c(cc1-c1cc4oc5ccccc5c4cc1-c1c-2ccc(-c2ccccc2C)c1C)oc1ccccc13
InChIInChI=1S/C52H36O2/c1-29-13-5-7-15-33(29)35-21-23-39-40-24-22-36(34-16-8-6-14-30(34)2)32(4)52(40)46-26-44-38-18-10-12-20-48(38)54-50(44)28-42(46)41-27-49-43(25-45(41)51(39)31(35)3)37-17-9-11-19-47(37)53-49/h5-28H,1-4H3/b40-39-,42-41-,51-45-,52-46-
InChIKeyWANYHSCJNUAQSK-QQBHEFMLSA-N
MW692.86 g/mol
LogP15.03
Rot. Bonds2

About 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

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 (PubChem CID 146383193) 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)-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.

Molecular Properties

Compound Name16,25-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
PubChem CID146383193
Molecular FormulaC52H36O2
Molecular Weight692.86 g/mol
Exact Mass692.27
IUPAC Name16,25-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
SMILESCc1ccccc1-c1ccc2c(c1C)-c1cc3c(cc1-c1cc4oc5ccccc5c4cc1-c1c-2ccc(-c2ccccc2C)c1C)oc1ccccc13
InChIInChI=1S/C52H36O2/c1-29-13-5-7-15-33(29)35-21-23-39-40-24-22-36(34-16-8-6-14-30(34)2)32(4)52(40)46-26-44-38-18-10-12-20-48(38)54-50(44)28-42(46)41-27-49-43(25-45(41)51(39)31(35)3)37-17-9-11-19-47(37)53-49/h5-28H,1-4H3/b40-39-,42-41-,51-45-,52-46-
InChIKeyWANYHSCJNUAQSK-QQBHEFMLSA-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)-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 with MolForge

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Related Compounds

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
2-(2-methylphenyl)dibenzofuran
CID 118188503
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155335093
2-[2-(2-methylphenyl)dibenzofuran-3-yl]-9-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 166775595
1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole
CID 90348695
ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 144645370
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
2,3-diphenyldibenzofuran
CID 12699263
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1-c1ccc2c(c1C)-c1cc3c(cc1-c1cc4oc5ccccc5c4cc1-c1c-2ccc(-c2ccccc2C)c1C)oc1ccccc13.
What is the InChIKey of 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?
The InChIKey is WANYHSCJNUAQSK-QQBHEFMLSA-N. The full InChI is InChI=1S/C52H36O2/c1-29-13-5-7-15-33(29)35-21-23-39-40-24-22-36(34-16-8-6-14-30(34)2)32(4)52(40)46-26-44-38-18-10-12-20-48(38)54-50(44)28-42(46)41-27-49-43(25-45(41)51(39)31(35)3)37-17-9-11-19-47(37)53-49/h5-28H,1-4H3/b40-39-,42-41-,51-45-,52-46-.
What are the key properties of 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?
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 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)-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 is sourced from PubChem (CID 146383193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).