7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene

C32H22O — CID 122629709

IUPAC7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene
SMILESC1=CC2=C(c3ccccc3)C=CC3Oc4ccc(-c5ccccc5)c5cccc(c45)C(=C1)C23
InChIInChI=1S/C32H22O/c1-3-9-21(10-4-1)23-17-19-29-31-25(23)13-7-15-27(31)28-16-8-14-26-24(22-11-5-2-6-12-22)18-20-30(33-29)32(26)28/h1-20,29,31H
InChIKeyJWCFRUBDFIISEV-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.86
Rot. Bonds2

About 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene

7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene (PubChem CID 122629709) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene.

Molecular Properties

Compound Name7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene
PubChem CID122629709
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene
SMILESC1=CC2=C(c3ccccc3)C=CC3Oc4ccc(-c5ccccc5)c5cccc(c45)C(=C1)C23
InChIInChI=1S/C32H22O/c1-3-9-21(10-4-1)23-17-19-29-31-25(23)13-7-15-27(31)28-16-8-14-26-24(22-11-5-2-6-12-22)18-20-30(33-29)32(26)28/h1-20,29,31H
InChIKeyJWCFRUBDFIISEV-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene with MolForge

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Related Compounds

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CID 142615286
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
CID 166988314
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2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
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2,4-diphenyl-6-[4-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-6-yl)phenyl]-1,3,5-triazine
CID 170182898
2-dibenzothiophen-3-yl-4-(2-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170423969
2-phenyl-4,6-bis(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-yl)-1,3,5-triazine
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CID 170013352
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CID 168731978
2-[4-(5-dibenzothiophen-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170182944

Frequently Asked Questions

What is the IUPAC name of 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene?
The IUPAC name of 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene (CID 122629709) is 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene.
What is the SMILES notation for 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene?
The canonical SMILES for 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene is C1=CC2=C(c3ccccc3)C=CC3Oc4ccc(-c5ccccc5)c5cccc(c45)C(=C1)C23.
What is the InChIKey of 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene?
The InChIKey is JWCFRUBDFIISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-3-9-21(10-4-1)23-17-19-29-31-25(23)13-7-15-27(31)28-16-8-14-26-24(22-11-5-2-6-12-22)18-20-30(33-29)32(26)28/h1-20,29,31H.
What are the key properties of 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene?
7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene has a molecular weight of 422.53 g/mol, XLogP of 7.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene is sourced from PubChem (CID 122629709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).