2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C50H32 — CID 20685574

IUPAC2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=Cc2ccccc2C(=Cc2cc(-c3cccc4cc5ccccc5cc34)cc(-c3cccc4cc5ccccc5cc34)c2)c2ccccc21
InChIInChI=1S/C50H32/c1-3-15-38-31-48-40(28-36(38)13-1)17-9-21-46(48)42-25-33(27-50-44-19-7-5-11-34(44)23-24-35-12-6-8-20-45(35)50)26-43(30-42)47-22-10-18-41-29-37-14-2-4-16-39(37)32-49(41)47/h1-32H
InChIKeySZKDNZBNWAEGDF-UHFFFAOYSA-N
MW632.81 g/mol
LogP13.71
Rot. Bonds3

About 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 20685574) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID20685574
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=Cc2ccccc2C(=Cc2cc(-c3cccc4cc5ccccc5cc34)cc(-c3cccc4cc5ccccc5cc34)c2)c2ccccc21
InChIInChI=1S/C50H32/c1-3-15-38-31-48-40(28-36(38)13-1)17-9-21-46(48)42-25-33(27-50-44-19-7-5-11-34(44)23-24-35-12-6-8-20-45(35)50)26-43(30-42)47-22-10-18-41-29-37-14-2-4-16-39(37)32-49(41)47/h1-32H
InChIKeySZKDNZBNWAEGDF-UHFFFAOYSA-N
XLogP13.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene with MolForge

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Related Compounds

4-anthracen-1-ylaniline
CID 18974595
hydron;1-phenylanthracene
CID 174351162
1-(4-bromophenyl)anthracene
CID 141156344
9-benzylidene-2,7-dinaphthalen-1-ylfluorene
CID 141308479
1-(3,4,5-trifluorophenyl)anthracene
CID 87425952
9,10-di(anthracen-1-yl)anthracene
CID 58645093
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
1-(2-phenylphenyl)anthracene
CID 21435778
2,6-di(anthracen-1-yl)anthracene-9,10-dione
CID 174779139
4-anthracen-1-ylbenzonitrile
CID 151714314
(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
5-anthracen-1-ylbenzene-1,3-dicarboxylic acid
CID 175006474

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 20685574) is 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is C1=Cc2ccccc2C(=Cc2cc(-c3cccc4cc5ccccc5cc34)cc(-c3cccc4cc5ccccc5cc34)c2)c2ccccc21.
What is the InChIKey of 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is SZKDNZBNWAEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-15-38-31-48-40(28-36(38)13-1)17-9-21-46(48)42-25-33(27-50-44-19-7-5-11-34(44)23-24-35-12-6-8-20-45(35)50)26-43(30-42)47-22-10-18-41-29-37-14-2-4-16-39(37)32-49(41)47/h1-32H.
What are the key properties of 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 632.81 g/mol, XLogP of 13.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-di(anthracen-1-yl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 20685574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).