1,2,3,12b-tetrahydrobenzo[k]fluoranthene

C20H16 — CID 615141

IUPAC1,2,3,12b-tetrahydrobenzo[k]fluoranthene
SMILESc1cc2c3c(c1)-c1cc4ccccc4cc1C3CCC2
InChIInChI=1S/C20H16/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-3,5-7,9,11-12,17H,4,8,10H2
InChIKeyYHNFGVBRQDPVRE-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.29
Rot. Bonds

About 1,2,3,12b-tetrahydrobenzo[k]fluoranthene

1,2,3,12b-tetrahydrobenzo[k]fluoranthene (PubChem CID 615141) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,2,3,12b-tetrahydrobenzo[k]fluoranthene.

Molecular Properties

Compound Name1,2,3,12b-tetrahydrobenzo[k]fluoranthene
PubChem CID615141
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name1,2,3,12b-tetrahydrobenzo[k]fluoranthene
SMILESc1cc2c3c(c1)-c1cc4ccccc4cc1C3CCC2
InChIInChI=1S/C20H16/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-3,5-7,9,11-12,17H,4,8,10H2
InChIKeyYHNFGVBRQDPVRE-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,12b-tetrahydrobenzo[k]fluoranthene?
The IUPAC name of 1,2,3,12b-tetrahydrobenzo[k]fluoranthene (CID 615141) is 1,2,3,12b-tetrahydrobenzo[k]fluoranthene.
What is the SMILES notation for 1,2,3,12b-tetrahydrobenzo[k]fluoranthene?
The canonical SMILES for 1,2,3,12b-tetrahydrobenzo[k]fluoranthene is c1cc2c3c(c1)-c1cc4ccccc4cc1C3CCC2.
What is the InChIKey of 1,2,3,12b-tetrahydrobenzo[k]fluoranthene?
The InChIKey is YHNFGVBRQDPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-3,5-7,9,11-12,17H,4,8,10H2.
What are the key properties of 1,2,3,12b-tetrahydrobenzo[k]fluoranthene?
1,2,3,12b-tetrahydrobenzo[k]fluoranthene has a molecular weight of 256.35 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,12b-tetrahydrobenzo[k]fluoranthene is sourced from PubChem (CID 615141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).