3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene

C32H22O — CID 11834974

IUPAC3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene
SMILESc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5cccc(c45)C23)cc1
InChIInChI=1S/C32H22O/c1-3-13-22(14-4-1)31-26-19-7-8-20-27(26)32(33-31,23-15-5-2-6-16-23)30-25-18-10-12-21-11-9-17-24(28(21)25)29(30)31/h1-20,29-30H
InChIKeySAYUJFQTOWSBFN-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.25
Rot. Bonds2

About 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene

3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene (PubChem CID 11834974) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene.

Molecular Properties

Compound Name3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene
PubChem CID11834974
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene
SMILESc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5cccc(c45)C23)cc1
InChIInChI=1S/C32H22O/c1-3-13-22(14-4-1)31-26-19-7-8-20-27(26)32(33-31,23-15-5-2-6-16-23)30-25-18-10-12-21-11-9-17-24(28(21)25)29(30)31/h1-20,29-30H
InChIKeySAYUJFQTOWSBFN-UHFFFAOYSA-N
XLogP7.25
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 ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene with MolForge

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Related Compounds

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14,15,16,17-Tetrafluoro-1,12-bis(2,3,4,5,6-pentafluorophenyl)-3,10-diphenyl-19-oxapentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4,6,8,10,13(18),14,16-octaene
CID 162401762
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Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene?
The IUPAC name of 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene (CID 11834974) is 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene.
What is the SMILES notation for 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene?
The canonical SMILES for 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene is c1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5cccc(c45)C23)cc1.
What is the InChIKey of 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene?
The InChIKey is SAYUJFQTOWSBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-3-13-22(14-4-1)31-26-19-7-8-20-27(26)32(33-31,23-15-5-2-6-16-23)30-25-18-10-12-21-11-9-17-24(28(21)25)29(30)31/h1-20,29-30H.
What are the key properties of 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene?
3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene has a molecular weight of 422.53 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12,14,16(20),17-octaene is sourced from PubChem (CID 11834974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).