14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene

C38H28O — CID 143048643

IUPAC14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene
SMILESC1=CC(c2ccccc2)(c2ccccc2)OC2=C1C1C=C(c3ccccc3CC1)c1ccc3ccccc3c12
InChIInChI=1S/C38H28O/c1-3-13-29(14-4-1)38(30-15-5-2-6-16-30)24-23-33-28-20-19-26-11-7-9-17-31(26)35(25-28)34-22-21-27-12-8-10-18-32(27)36(34)37(33)39-38/h1-18,21-25,28H,19-20H2
InChIKeyHVAQPIDVKDASCA-UHFFFAOYSA-N
MW500.64 g/mol
LogP9.09
Rot. Bonds2

About 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene

14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene (PubChem CID 143048643) has the molecular formula C38H28O and a molecular weight of 500.64 g/mol. Its IUPAC name is 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene.

Molecular Properties

Compound Name14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene
PubChem CID143048643
Molecular FormulaC38H28O
Molecular Weight500.64 g/mol
Exact Mass500.21
IUPAC Name14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene
SMILESC1=CC(c2ccccc2)(c2ccccc2)OC2=C1C1C=C(c3ccccc3CC1)c1ccc3ccccc3c12
InChIInChI=1S/C38H28O/c1-3-13-29(14-4-1)38(30-15-5-2-6-16-30)24-23-33-28-20-19-26-11-7-9-17-31(26)35(25-28)34-22-21-27-12-8-10-18-32(27)36(34)37(33)39-38/h1-18,21-25,28H,19-20H2
InChIKeyHVAQPIDVKDASCA-UHFFFAOYSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene with MolForge

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Related Compounds

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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
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Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene?
The IUPAC name of 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene (CID 143048643) is 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene.
What is the SMILES notation for 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene?
The canonical SMILES for 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene is C1=CC(c2ccccc2)(c2ccccc2)OC2=C1C1C=C(c3ccccc3CC1)c1ccc3ccccc3c12.
What is the InChIKey of 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene?
The InChIKey is HVAQPIDVKDASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O/c1-3-13-29(14-4-1)38(30-15-5-2-6-16-30)24-23-33-28-20-19-26-11-7-9-17-31(26)35(25-28)34-22-21-27-12-8-10-18-32(27)36(34)37(33)39-38/h1-18,21-25,28H,19-20H2.
What are the key properties of 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene?
14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene has a molecular weight of 500.64 g/mol, XLogP of 9.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-diphenyl-13-oxahexacyclo[16.8.1.02,11.05,10.012,17.021,26]heptacosa-1(27),2(11),3,5,7,9,12(17),15,21,23,25-undecaene is sourced from PubChem (CID 143048643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).