8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene

C26H20 — CID 144950942

IUPAC8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
SMILESC1=CC2CC2C2=C1C(c1ccccc1)(c1ccccc1)c1ccccc12
InChIInChI=1S/C26H20/c1-3-9-19(10-4-1)26(20-11-5-2-6-12-20)23-14-8-7-13-21(23)25-22-17-18(22)15-16-24(25)26/h1-16,18,22H,17H2
InChIKeyUFPSYPRLTVFVTG-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.99
Rot. Bonds2

About 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene

8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene (PubChem CID 144950942) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene.

Molecular Properties

Compound Name8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
PubChem CID144950942
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
SMILESC1=CC2CC2C2=C1C(c1ccccc1)(c1ccccc1)c1ccccc12
InChIInChI=1S/C26H20/c1-3-9-19(10-4-1)26(20-11-5-2-6-12-20)23-14-8-7-13-21(23)25-22-17-18(22)15-16-24(25)26/h1-16,18,22H,17H2
InChIKeyUFPSYPRLTVFVTG-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene with MolForge

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
8,8-diphenyltetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2,4,6,9-pentaene
CID 145340554
9,9-diphenylfluorene;propane
CID 158205050
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
9,9-diphenylfluorene;methoxymethane
CID 143139467
12,12-diphenyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[a]indene
CID 147795463
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]
CID 159194629
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505

Frequently Asked Questions

What is the IUPAC name of 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The IUPAC name of 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene (CID 144950942) is 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene.
What is the SMILES notation for 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The canonical SMILES for 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene is C1=CC2CC2C2=C1C(c1ccccc1)(c1ccccc1)c1ccccc12.
What is the InChIKey of 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
The InChIKey is UFPSYPRLTVFVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-3-9-19(10-4-1)26(20-11-5-2-6-12-20)23-14-8-7-13-21(23)25-22-17-18(22)15-16-24(25)26/h1-16,18,22H,17H2.
What are the key properties of 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene?
8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene has a molecular weight of 332.45 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene is sourced from PubChem (CID 144950942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).