[2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea

C24H22N2O — CID 142906481

IUPAC[2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea
SMILESNC(=O)Nc1ccccc1/C=C1/C2=C(C=CCC=C2)CCc2ccccc21
InChIInChI=1S/C24H22N2O/c25-24(27)26-23-13-7-5-10-19(23)16-22-20-11-3-1-2-8-17(20)14-15-18-9-4-6-12-21(18)22/h2-13,16H,1,14-15H2,(H3,25,26,27)/b22-16-
InChIKeyOSOCWLXDWPNJDC-JWGURIENSA-N
MW354.45 g/mol
LogP5.48
Rot. Bonds2

About [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea

[2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea (PubChem CID 142906481) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea.

Molecular Properties

Compound Name[2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea
PubChem CID142906481
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name[2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea
SMILESNC(=O)Nc1ccccc1/C=C1/C2=C(C=CCC=C2)CCc2ccccc21
InChIInChI=1S/C24H22N2O/c25-24(27)26-23-13-7-5-10-19(23)16-22-20-11-3-1-2-8-17(20)14-15-18-9-4-6-12-21(18)22/h2-13,16H,1,14-15H2,(H3,25,26,27)/b22-16-
InChIKeyOSOCWLXDWPNJDC-JWGURIENSA-N
XLogP5.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea?
The IUPAC name of [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea (CID 142906481) is [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea.
What is the SMILES notation for [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea?
The canonical SMILES for [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea is NC(=O)Nc1ccccc1/C=C1/C2=C(C=CCC=C2)CCc2ccccc21.
What is the InChIKey of [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea?
The InChIKey is OSOCWLXDWPNJDC-JWGURIENSA-N. The full InChI is InChI=1S/C24H22N2O/c25-24(27)26-23-13-7-5-10-19(23)16-22-20-11-3-1-2-8-17(20)14-15-18-9-4-6-12-21(18)22/h2-13,16H,1,14-15H2,(H3,25,26,27)/b22-16-.
What are the key properties of [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea?
[2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea has a molecular weight of 354.45 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-2-tricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,15-hexaenylidenemethyl]phenyl]urea is sourced from PubChem (CID 142906481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).