tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene

C21H16 — CID 90876142

IUPACtetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene
SMILESC1=CCCc2c3c(c4ccccc4c2CC=1)C=CC=C=C3
InChIInChI=1S/C21H16/c1-2-5-11-17-16(10-4-1)18-12-6-3-7-13-19(18)21-15-9-8-14-20(17)21/h1,3,5,7-9,12-15H,4,10-11H2
InChIKeyQDRPXUOGUDXJDK-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.23
Rot. Bonds

About tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene

tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene (PubChem CID 90876142) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene.

Molecular Properties

Compound Nametetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene
PubChem CID90876142
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Nametetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene
SMILESC1=CCCc2c3c(c4ccccc4c2CC=1)C=CC=C=C3
InChIInChI=1S/C21H16/c1-2-5-11-17-16(10-4-1)18-12-6-3-7-13-19(18)21-15-9-8-14-20(17)21/h1,3,5,7-9,12-15H,4,10-11H2
InChIKeyQDRPXUOGUDXJDK-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene with MolForge

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Related Compounds

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9,10-dimethyl-3,4-dihydrophenanthrene
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9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene
CID 123196573
5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole
CID 170005538
6-methyl-1,2-dihydrotriphenylene
CID 123255484
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
12-thiapentacyclo[11.10.0.02,11.04,9.015,22]tricosa-1(13),2(11),4,6,8,15(22),18,20-octaene-3,10,14,23-tetrone
CID 123261272
tetracyclo[6.6.5.02,7.09,14]nonadeca-1,3,5,7,9,11,13-heptaene
CID 14980237

Frequently Asked Questions

What is the IUPAC name of tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene?
The IUPAC name of tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene (CID 90876142) is tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene.
What is the SMILES notation for tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene?
The canonical SMILES for tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene is C1=CCCc2c3c(c4ccccc4c2CC=1)C=CC=C=C3.
What is the InChIKey of tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene?
The InChIKey is QDRPXUOGUDXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-2-5-11-17-16(10-4-1)18-12-6-3-7-13-19(18)21-15-9-8-14-20(17)21/h1,3,5,7-9,12-15H,4,10-11H2.
What are the key properties of tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene?
tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene has a molecular weight of 268.36 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene is sourced from PubChem (CID 90876142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).