benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene

C21H16 — CID 175426701

IUPACbenzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESC1=C2CC(=C1)c1cc3ccccc3cc12.c1ccccc1
InChIInChI=1S/C15H10.C6H6/c1-2-4-11-9-15-13-6-5-12(7-13)14(15)8-10(11)3-1;1-2-4-6-5-3-1/h1-6,8-9H,7H2;1-6H
InChIKeyMDESDERWUQUOHQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.71
Rot. Bonds

About benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene

benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 175426701) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Namebenzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID175426701
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Namebenzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESC1=C2CC(=C1)c1cc3ccccc3cc12.c1ccccc1
InChIInChI=1S/C15H10.C6H6/c1-2-4-11-9-15-13-6-5-12(7-13)14(15)8-10(11)3-1;1-2-4-6-5-3-1/h1-6,8-9H,7H2;1-6H
InChIKeyMDESDERWUQUOHQ-UHFFFAOYSA-N
XLogP5.71
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 ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 175426701) is benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene is C1=C2CC(=C1)c1cc3ccccc3cc12.c1ccccc1.
What is the InChIKey of benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is MDESDERWUQUOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10.C6H6/c1-2-4-11-9-15-13-6-5-12(7-13)14(15)8-10(11)3-1;1-2-4-6-5-3-1/h1-6,8-9H,7H2;1-6H.
What are the key properties of benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene?
benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 268.36 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 175426701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).