19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene

C32H22O — CID 170219409

IUPAC19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2c1ccc1ccc3c(c21)Cc1ccccc1-3
InChIInChI=1S/C32H22O/c1-3-10-25(11-4-1)32(26-12-5-2-6-13-26)20-19-23-16-15-22-17-18-28-27-14-8-7-9-24(27)21-29(28)30(22)31(23)33-32/h1-20H,21H2
InChIKeyNVXDNHRYJPHJDO-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.76
Rot. Bonds2

About 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene

19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene (PubChem CID 170219409) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene.

Molecular Properties

Compound Name19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
PubChem CID170219409
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2c1ccc1ccc3c(c21)Cc1ccccc1-3
InChIInChI=1S/C32H22O/c1-3-10-25(11-4-1)32(26-12-5-2-6-13-26)20-19-23-16-15-22-17-18-28-27-14-8-7-9-24(27)21-29(28)30(22)31(23)33-32/h1-20H,21H2
InChIKeyNVXDNHRYJPHJDO-UHFFFAOYSA-N
XLogP7.76
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 ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene?
The IUPAC name of 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene (CID 170219409) is 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene.
What is the SMILES notation for 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene?
The canonical SMILES for 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene is C1=CC(c2ccccc2)(c2ccccc2)Oc2c1ccc1ccc3c(c21)Cc1ccccc1-3.
What is the InChIKey of 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene?
The InChIKey is NVXDNHRYJPHJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-3-10-25(11-4-1)32(26-12-5-2-6-13-26)20-19-23-16-15-22-17-18-28-27-14-8-7-9-24(27)21-29(28)30(22)31(23)33-32/h1-20H,21H2.
What are the key properties of 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene?
19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene has a molecular weight of 422.53 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene is sourced from PubChem (CID 170219409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).