11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene

C26H22N4 — CID 154646800

IUPAC11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
SMILESC=C/C(=C\C)n1c(C=C)c(C=C)n2c1nc1c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C26H22N4/c1-5-18(6-2)29-21(7-3)22(8-4)30-25-24(27-26(29)30)20-16-12-13-17-23(20)28(25)19-14-10-9-11-15-19/h5-17H,1,3-4H2,2H3/b18-6+
InChIKeyWMOZMGHROQUEDP-NGYBGAFCSA-N
MW390.49 g/mol
LogP6.57
Rot. Bonds5

About 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene

11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene (PubChem CID 154646800) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene.

Molecular Properties

Compound Name11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
PubChem CID154646800
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
SMILESC=C/C(=C\C)n1c(C=C)c(C=C)n2c1nc1c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C26H22N4/c1-5-18(6-2)29-21(7-3)22(8-4)30-25-24(27-26(29)30)20-16-12-13-17-23(20)28(25)19-14-10-9-11-15-19/h5-17H,1,3-4H2,2H3/b18-6+
InChIKeyWMOZMGHROQUEDP-NGYBGAFCSA-N
XLogP6.57
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene with MolForge

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Related Compounds

11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
CID 126538258
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene
CID 164745050
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
CID 145151690
7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole
CID 164744983
10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 134188138
N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)
CID 159977015
20-tert-butyl-16-[(3E)-penta-1,3-dien-3-yl]-24-phenyl-16,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
CID 144605810
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
(4-carbazol-9-ylphenyl)-(4-ethenylphenyl)-dimethylsilane
CID 59489115

Frequently Asked Questions

What is the IUPAC name of 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
The IUPAC name of 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene (CID 154646800) is 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene.
What is the SMILES notation for 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
The canonical SMILES for 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene is C=C/C(=C\C)n1c(C=C)c(C=C)n2c1nc1c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
The InChIKey is WMOZMGHROQUEDP-NGYBGAFCSA-N. The full InChI is InChI=1S/C26H22N4/c1-5-18(6-2)29-21(7-3)22(8-4)30-25-24(27-26(29)30)20-16-12-13-17-23(20)28(25)19-14-10-9-11-15-19/h5-17H,1,3-4H2,2H3/b18-6+.
What are the key properties of 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene has a molecular weight of 390.49 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene is sourced from PubChem (CID 154646800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).