2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C30H22 — CID 134854372

IUPAC2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=Cc2ccccc2C(=C2c3ccccc3CCc3ccccc32)c2ccccc21
InChIInChI=1S/C30H22/c1-5-13-25-21(9-1)17-18-22-10-2-6-14-26(22)29(25)30-27-15-7-3-11-23(27)19-20-24-12-4-8-16-28(24)30/h1-18H,19-20H2
InChIKeyLBAGCUWIIVQRLZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.28
Rot. Bonds

About 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 134854372) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID134854372
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=Cc2ccccc2C(=C2c3ccccc3CCc3ccccc32)c2ccccc21
InChIInChI=1S/C30H22/c1-5-13-25-21(9-1)17-18-22-10-2-6-14-26(22)29(25)30-27-15-7-3-11-23(27)19-20-24-12-4-8-16-28(24)30/h1-18H,19-20H2
InChIKeyLBAGCUWIIVQRLZ-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene with MolForge

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Related Compounds

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CID 12568460
9,10-dihydrophenanthrene;ethane
CID 143759681
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)naphthalen-1-one
CID 11404863
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CID 44814805
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CID 162023377
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 139802276
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CID 23343663

Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 134854372) is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is C1=Cc2ccccc2C(=C2c3ccccc3CCc3ccccc32)c2ccccc21.
What is the InChIKey of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is LBAGCUWIIVQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-5-13-25-21(9-1)17-18-22-10-2-6-14-26(22)29(25)30-27-15-7-3-11-23(27)19-20-24-12-4-8-16-28(24)30/h1-18H,19-20H2.
What are the key properties of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 382.51 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 134854372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).