7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene

C28H18O2 — CID 130212468

IUPAC7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene
SMILESC1=c2oc3c(ccc4cc5oc6ccccc6c5cc43)c2=CC(c2ccccc2)C1
InChIInChI=1S/C28H18O2/c1-2-6-17(7-3-1)18-11-13-26-23(14-18)21-12-10-19-15-27-24(16-22(19)28(21)30-26)20-8-4-5-9-25(20)29-27/h1-10,12-16,18H,11H2
InChIKeyODPUFDBCTRQRRO-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.23
Rot. Bonds1

About 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene

7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene (PubChem CID 130212468) has the molecular formula C28H18O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene.

Molecular Properties

Compound Name7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene
PubChem CID130212468
Molecular FormulaC28H18O2
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene
SMILESC1=c2oc3c(ccc4cc5oc6ccccc6c5cc43)c2=CC(c2ccccc2)C1
InChIInChI=1S/C28H18O2/c1-2-6-17(7-3-1)18-11-13-26-23(14-18)21-12-10-19-15-27-24(16-22(19)28(21)30-26)20-8-4-5-9-25(20)29-27/h1-10,12-16,18H,11H2
InChIKeyODPUFDBCTRQRRO-UHFFFAOYSA-N
XLogP6.23
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene with MolForge

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Related Compounds

7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene
CID 163899907
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 146544017
2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170279862
3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 163864533
6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 163568883
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185583
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene?
The IUPAC name of 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene (CID 130212468) is 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene.
What is the SMILES notation for 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene?
The canonical SMILES for 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene is C1=c2oc3c(ccc4cc5oc6ccccc6c5cc43)c2=CC(c2ccccc2)C1.
What is the InChIKey of 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene?
The InChIKey is ODPUFDBCTRQRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2/c1-2-6-17(7-3-1)18-11-13-26-23(14-18)21-12-10-19-15-27-24(16-22(19)28(21)30-26)20-8-4-5-9-25(20)29-27/h1-10,12-16,18H,11H2.
What are the key properties of 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene?
7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene has a molecular weight of 386.45 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene is sourced from PubChem (CID 130212468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).