(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene

C21H20 — CID 10923696

IUPAC(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
SMILESC1=C(c2ccccc2)C[C@H]2C=C(c3ccccc3)C[C@@H]1C2
InChIInChI=1S/C21H20/c1-3-7-18(8-4-1)20-12-16-11-17(13-20)15-21(14-16)19-9-5-2-6-10-19/h1-10,12,15-17H,11,13-14H2/t16-,17+/m1/s1
InChIKeyUCUZJGIXKWUZFC-SJORKVTESA-N
MW272.39 g/mol
LogP5.58
Rot. Bonds2

About (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene

(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene (PubChem CID 10923696) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene.

Molecular Properties

Compound Name(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
PubChem CID10923696
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
SMILESC1=C(c2ccccc2)C[C@H]2C=C(c3ccccc3)C[C@@H]1C2
InChIInChI=1S/C21H20/c1-3-7-18(8-4-1)20-12-16-11-17(13-20)15-21(14-16)19-9-5-2-6-10-19/h1-10,12,15-17H,11,13-14H2/t16-,17+/m1/s1
InChIKeyUCUZJGIXKWUZFC-SJORKVTESA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 136763086
CID 136763086
3-phenylbicyclo[3.1.0]hex-2-ene
CID 13395700
4-phenylcyclopent-3-ene-1,2-diol
CID 85106712
(1S)-5-amino-3-phenylcyclohex-2-en-1-ol
CID 174581206
(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene
CID 102028127
(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 92980020
(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 102075089
3,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 66693994
2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CID 118260991
3-phenyl-9-azabicyclo[3.3.1]non-2-ene
CID 70023991
5-methyl-1,3-diphenylcyclohexa-1,3-diene
CID 154531936
methyl (3-phenylcyclobut-2-en-1-yl) carbonate
CID 16656104

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene?
The IUPAC name of (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene (CID 10923696) is (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene.
What is the SMILES notation for (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene?
The canonical SMILES for (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene is C1=C(c2ccccc2)C[C@H]2C=C(c3ccccc3)C[C@@H]1C2.
What is the InChIKey of (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene?
The InChIKey is UCUZJGIXKWUZFC-SJORKVTESA-N. The full InChI is InChI=1S/C21H20/c1-3-7-18(8-4-1)20-12-16-11-17(13-20)15-21(14-16)19-9-5-2-6-10-19/h1-10,12,15-17H,11,13-14H2/t16-,17+/m1/s1.
What are the key properties of (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene?
(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene has a molecular weight of 272.39 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene is sourced from PubChem (CID 10923696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).