5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene

C16H12 — CID 143619734

IUPAC5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene
SMILESCc1ccc2c(c1)C1C=Cc3cccc-2c31
InChIInChI=1S/C16H12/c1-10-5-7-12-13-4-2-3-11-6-8-14(16(11)13)15(12)9-10/h2-9,14H,1H3
InChIKeyGDUJZRLOAHBLOS-UHFFFAOYSA-N
MW204.27 g/mol
LogP4.13
Rot. Bonds

About 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene

5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene (PubChem CID 143619734) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene.

Molecular Properties

Compound Name5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene
PubChem CID143619734
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene
SMILESCc1ccc2c(c1)C1C=Cc3cccc-2c31
InChIInChI=1S/C16H12/c1-10-5-7-12-13-4-2-3-11-6-8-14(16(11)13)15(12)9-10/h2-9,14H,1H3
InChIKeyGDUJZRLOAHBLOS-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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9-[2-(9H-fluoren-9-yl)-4-methylphenyl]-9H-fluorene
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9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
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1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
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2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405
CID 173302406
CID 173302406
1-(2,5-dimethylphenyl)-9H-fluoren-9-ol
CID 141056407
1-methoxy-6-methyl-1H-indene
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9-(2,5-dimethylphenyl)-9H-fluorene
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CID 175183172

Frequently Asked Questions

What is the IUPAC name of 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene?
The IUPAC name of 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene (CID 143619734) is 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene.
What is the SMILES notation for 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene?
The canonical SMILES for 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene is Cc1ccc2c(c1)C1C=Cc3cccc-2c31.
What is the InChIKey of 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene?
The InChIKey is GDUJZRLOAHBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-10-5-7-12-13-4-2-3-11-6-8-14(16(11)13)15(12)9-10/h2-9,14H,1H3.
What are the key properties of 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene?
5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene has a molecular weight of 204.27 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene is sourced from PubChem (CID 143619734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).