3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene

C32H24O — CID 134387014

IUPAC3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene
SMILESC1=CC2C(C=C1)C1(c3ccccc3)OC2(c2ccccc2)C2c3cccc4cccc(c34)C21
InChIInChI=1S/C32H24O/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/h1-20,26-27,29-30H
InChIKeyQRYOCWINXNTRGJ-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.21
Rot. Bonds2

About 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene

3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene (PubChem CID 134387014) has the molecular formula C32H24O and a molecular weight of 424.54 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),5,7,12,14,16(20),17-heptaene.

Molecular Properties

Compound Name3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene
PubChem CID134387014
Molecular FormulaC32H24O
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC Name3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene
SMILESC1=CC2C(C=C1)C1(c3ccccc3)OC2(c2ccccc2)C2c3cccc4cccc(c34)C21
InChIInChI=1S/C32H24O/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/h1-20,26-27,29-30H
InChIKeyQRYOCWINXNTRGJ-UHFFFAOYSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.21
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),5,7,12,14,16(20),17-heptaene with MolForge

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Related Compounds

3,10-bis(5-methylthiophen-2-yl)-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene
CID 123611828
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CID 140819186
(10R,11S,14R,15S)-11,14-dimethyl-12,13-diphenylpentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1,3,5(16),6,8,12-hexaen-17-one
CID 92835890
(10S,11R,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxylic acid
CID 23256679
13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene
CID 11834973
2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
CID 13067294
(2S,8R)-2-phenyl-3,7,18-trioxatetracyclo[7.7.1.12,8.013,17]octadeca-1(16),9,11,13(17),14-pentaene
CID 10734320
(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene
CID 95564432
5-oxapentacyclo[7.7.1.02,8.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,4,6,6-tetracarbonitrile
CID 23163299
11,12,13,14-tetrachloro-17,17-dimethoxypentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1,3,5(16),6,8,12-hexaene
CID 134122073
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CID 6427225

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),5,7,12,14,16(20),17-heptaene?
The IUPAC name of 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene (CID 134387014) is 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene.
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),5,7,12,14,16(20),17-heptaene?
The canonical SMILES for 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene is C1=CC2C(C=C1)C1(c3ccccc3)OC2(c2ccccc2)C2c3cccc4cccc(c34)C21.
What is the InChIKey of 3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene?
The InChIKey is QRYOCWINXNTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O/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/h1-20,26-27,29-30H.
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),5,7,12,14,16(20),17-heptaene?
3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),5,7,12,14,16(20),17-heptaene has a molecular weight of 424.54 g/mol, XLogP of 7.21, 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),5,7,12,14,16(20),17-heptaene is sourced from PubChem (CID 134387014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).