12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C31H20 — CID 633780

IUPAC12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2c(C3c4c(ccc5ccccc45)-c4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C31H20/c1-4-12-23-20(8-1)11-7-15-26(23)31-29-24-13-5-2-9-21(24)16-18-27(29)28-19-17-22-10-3-6-14-25(22)30(28)31/h1-19,31H
InChIKeyDBNTVABETCVOBL-UHFFFAOYSA-N
MW392.50 g/mol
LogP8.31
Rot. Bonds1

About 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 633780) has the molecular formula C31H20 and a molecular weight of 392.50 g/mol. Its IUPAC name is 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID633780
Molecular FormulaC31H20
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2c(C3c4c(ccc5ccccc45)-c4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C31H20/c1-4-12-23-20(8-1)11-7-15-26(23)31-29-24-13-5-2-9-21(24)16-18-27(29)28-19-17-22-10-3-6-14-25(22)30(28)31/h1-19,31H
InChIKeyDBNTVABETCVOBL-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 633780) is 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc2c(C3c4c(ccc5ccccc45)-c4ccc5ccccc5c43)cccc2c1.
What is the InChIKey of 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is DBNTVABETCVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20/c1-4-12-23-20(8-1)11-7-15-26(23)31-29-24-13-5-2-9-21(24)16-18-27(29)28-19-17-22-10-3-6-14-25(22)30(28)31/h1-19,31H.
What are the key properties of 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 392.50 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 633780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).