4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene

C40H24O — CID 58461828

IUPAC4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
SMILESc1ccc2c(-c3cccc4ccc5oc6ccc7cccc(-c8cccc9ccccc89)c7c6c5c34)cccc2c1
InChIInChI=1S/C40H24O/c1-3-15-29-25(9-1)11-5-17-31(29)33-19-7-13-27-21-23-35-39(37(27)33)40-36(41-35)24-22-28-14-8-20-34(38(28)40)32-18-6-12-26-10-2-4-16-30(26)32/h1-24H
InChIKeyBTGWBLFFWNKJAV-UHFFFAOYSA-N
MW520.63 g/mol
LogP11.53
Rot. Bonds2

About 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene

4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene (PubChem CID 58461828) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene.

Molecular Properties

Compound Name4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
PubChem CID58461828
Molecular FormulaC40H24O
Molecular Weight520.63 g/mol
Exact Mass520.18
IUPAC Name4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
SMILESc1ccc2c(-c3cccc4ccc5oc6ccc7cccc(-c8cccc9ccccc89)c7c6c5c34)cccc2c1
InChIInChI=1S/C40H24O/c1-3-15-29-25(9-1)11-5-17-31(29)33-19-7-13-27-21-23-35-39(37(27)33)40-36(41-35)24-22-28-14-8-20-34(38(28)40)32-18-6-12-26-10-2-4-16-30(26)32/h1-24H
InChIKeyBTGWBLFFWNKJAV-UHFFFAOYSA-N
XLogP11.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene with MolForge

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Related Compounds

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CID 155334176
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bis(1-naphthalen-1-ylnaphthalene);phosphane
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CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
The IUPAC name of 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene (CID 58461828) is 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene.
What is the SMILES notation for 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
The canonical SMILES for 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene is c1ccc2c(-c3cccc4ccc5oc6ccc7cccc(-c8cccc9ccccc89)c7c6c5c34)cccc2c1.
What is the InChIKey of 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
The InChIKey is BTGWBLFFWNKJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-3-15-29-25(9-1)11-5-17-31(29)33-19-7-13-27-21-23-35-39(37(27)33)40-36(41-35)24-22-28-14-8-20-34(38(28)40)32-18-6-12-26-10-2-4-16-30(26)32/h1-24H.
What are the key properties of 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene has a molecular weight of 520.63 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene is sourced from PubChem (CID 58461828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).