5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-

C22H26N2 — CID 49556

IUPAC1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperazine
SMILESCN1CCN(CC1)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChIInChI=1S/C22H26N2/c1-23-14-16-24(17-15-23)13-12-22-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,12H,10-11,13-17H2,1H3
InChIKeyMUOHKHSNNJAZIW-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.40
Rot. Bonds2

About 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-

5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)- (PubChem CID 49556) has the molecular formula C22H26N2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperazine.

Molecular Properties

Compound Name5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-
PubChem CID49556
Molecular FormulaC22H26N2
Molecular Weight318.50 g/mol
Exact Mass318.21
IUPAC Name1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperazine
SMILESCN1CCN(CC1)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChIInChI=1S/C22H26N2/c1-23-14-16-24(17-15-23)13-12-22-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,12H,10-11,13-17H2,1H3
InChIKeyMUOHKHSNNJAZIW-UHFFFAOYSA-N
XLogP4.40
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity409

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Piperidine, 4-(diphenylmethylene)-1-methyl-
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CID 10358719

Frequently Asked Questions

What is the IUPAC name of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-?
The IUPAC name of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)- (CID 49556) is 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperazine.
What is the SMILES notation for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-?
The canonical SMILES for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)- is CN1CCN(CC1)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42.
What is the InChIKey of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-?
The InChIKey is MUOHKHSNNJAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-23-14-16-24(17-15-23)13-12-22-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,12H,10-11,13-17H2,1H3.
What are the key properties of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)-?
5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)- has a molecular weight of 318.50 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethylidene)- is sourced from PubChem (CID 49556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).