6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene

C33H24O — CID 176994638

IUPAC6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
SMILESCc1ccc2ccc3c(c2c1)C(c1cccc2ccccc12)c1c(ccc2ccc(C)cc12)O3
InChIInChI=1S/C33H24O/c1-20-10-12-23-14-16-29-31(27(23)18-20)33(26-9-5-7-22-6-3-4-8-25(22)26)32-28-19-21(2)11-13-24(28)15-17-30(32)34-29/h3-19,33H,1-2H3
InChIKeyMQODTYSPMMHUOM-UHFFFAOYSA-N
MW436.55 g/mol
LogP9.05
Rot. Bonds1

About 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene

6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene (PubChem CID 176994638) has the molecular formula C33H24O and a molecular weight of 436.55 g/mol. Its IUPAC name is 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene.

Molecular Properties

Compound Name6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
PubChem CID176994638
Molecular FormulaC33H24O
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
SMILESCc1ccc2ccc3c(c2c1)C(c1cccc2ccccc12)c1c(ccc2ccc(C)cc12)O3
InChIInChI=1S/C33H24O/c1-20-10-12-23-14-16-29-31(27(23)18-20)33(26-9-5-7-22-6-3-4-8-25(22)26)32-28-19-21(2)11-13-24(28)15-17-30(32)34-29/h3-19,33H,1-2H3
InChIKeyMQODTYSPMMHUOM-UHFFFAOYSA-N
XLogP9.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene?
The IUPAC name of 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene (CID 176994638) is 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene.
What is the SMILES notation for 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene?
The canonical SMILES for 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene is Cc1ccc2ccc3c(c2c1)C(c1cccc2ccccc12)c1c(ccc2ccc(C)cc12)O3.
What is the InChIKey of 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene?
The InChIKey is MQODTYSPMMHUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O/c1-20-10-12-23-14-16-29-31(27(23)18-20)33(26-9-5-7-22-6-3-4-8-25(22)26)32-28-19-21(2)11-13-24(28)15-17-30(32)34-29/h3-19,33H,1-2H3.
What are the key properties of 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene?
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene has a molecular weight of 436.55 g/mol, XLogP of 9.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene is sourced from PubChem (CID 176994638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).