6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene

C36H24O2 — CID 59181915

IUPAC6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
SMILESCc1cccc(-c2ccc3c(c2)oc2ccc4c(ccc5oc6cc(-c7cccc(C)c7)ccc6c54)c23)c1
InChIInChI=1S/C36H24O2/c1-21-5-3-7-23(17-21)25-9-11-29-33(19-25)37-31-15-13-28-27(35(29)31)14-16-32-36(28)30-12-10-26(20-34(30)38-32)24-8-4-6-22(2)18-24/h3-20H,1-2H3
InChIKeyWKGOFIHTENQKDG-UHFFFAOYSA-N
MW488.59 g/mol
LogP10.59
Rot. Bonds2

About 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene

6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene (PubChem CID 59181915) has the molecular formula C36H24O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene.

Molecular Properties

Compound Name6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
PubChem CID59181915
Molecular FormulaC36H24O2
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC Name6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
SMILESCc1cccc(-c2ccc3c(c2)oc2ccc4c(ccc5oc6cc(-c7cccc(C)c7)ccc6c54)c23)c1
InChIInChI=1S/C36H24O2/c1-21-5-3-7-23(17-21)25-9-11-29-33(19-25)37-31-15-13-28-27(35(29)31)14-16-32-36(28)30-12-10-26(20-34(30)38-32)24-8-4-6-22(2)18-24/h3-20H,1-2H3
InChIKeyWKGOFIHTENQKDG-UHFFFAOYSA-N
XLogP10.59
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene with MolForge

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Related Compounds

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CID 70923701
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CID 123472121
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
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CID 139460855
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CID 134513522
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CID 90881937
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Frequently Asked Questions

What is the IUPAC name of 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The IUPAC name of 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene (CID 59181915) is 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene.
What is the SMILES notation for 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The canonical SMILES for 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene is Cc1cccc(-c2ccc3c(c2)oc2ccc4c(ccc5oc6cc(-c7cccc(C)c7)ccc6c54)c23)c1.
What is the InChIKey of 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The InChIKey is WKGOFIHTENQKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O2/c1-21-5-3-7-23(17-21)25-9-11-29-33(19-25)37-31-15-13-28-27(35(29)31)14-16-32-36(28)30-12-10-26(20-34(30)38-32)24-8-4-6-22(2)18-24/h3-20H,1-2H3.
What are the key properties of 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene has a molecular weight of 488.59 g/mol, XLogP of 10.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene is sourced from PubChem (CID 59181915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).