(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene

C18H16 — CID 145331638

IUPAC(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene
SMILESC1=C/C2=C/CC=C(c3ccccc3)C=CC2C=C1
InChIInChI=1S/C18H16/c1-2-7-15(8-3-1)18-12-6-11-16-9-4-5-10-17(16)13-14-18/h1-5,7-14,17H,6H2/b14-13?,16-11-,18-12?
InChIKeyHJAHIJJMNVJSGW-LZUYEMGZSA-N
MW232.33 g/mol
LogP4.70
Rot. Bonds1

About (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene

(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene (PubChem CID 145331638) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene.

Molecular Properties

Compound Name(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene
PubChem CID145331638
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene
SMILESC1=C/C2=C/CC=C(c3ccccc3)C=CC2C=C1
InChIInChI=1S/C18H16/c1-2-7-15(8-3-1)18-12-6-11-16-9-4-5-10-17(16)13-14-18/h1-5,7-14,17H,6H2/b14-13?,16-11-,18-12?
InChIKeyHJAHIJJMNVJSGW-LZUYEMGZSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene?
The IUPAC name of (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene (CID 145331638) is (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene.
What is the SMILES notation for (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene?
The canonical SMILES for (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene is C1=C/C2=C/CC=C(c3ccccc3)C=CC2C=C1.
What is the InChIKey of (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene?
The InChIKey is HJAHIJJMNVJSGW-LZUYEMGZSA-N. The full InChI is InChI=1S/C18H16/c1-2-7-15(8-3-1)18-12-6-11-16-9-4-5-10-17(16)13-14-18/h1-5,7-14,17H,6H2/b14-13?,16-11-,18-12?.
What are the key properties of (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene?
(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene has a molecular weight of 232.33 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene is sourced from PubChem (CID 145331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).