(4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene

C30H25N — CID 145080312

IUPAC(4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene
SMILESC=C/C=C\CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2C(=C)/C=C\C=C/N1
InChIInChI=1S/C30H25N/c1-3-4-11-20-30(23-14-6-5-7-15-23)25-17-9-8-16-24(25)29-26(30)18-19-27-28(29)22(2)13-10-12-21-31-27/h3-19,21,31H,1-2,20H2/b11-4-,13-10-,21-12-
InChIKeyFRZXNXYSHLFYQS-OXBPPJKYSA-N
MW399.54 g/mol
LogP7.64
Rot. Bonds4

About (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene

(4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene (PubChem CID 145080312) has the molecular formula C30H25N and a molecular weight of 399.54 g/mol. Its IUPAC name is (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene.

Molecular Properties

Compound Name(4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene
PubChem CID145080312
Molecular FormulaC30H25N
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC Name(4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene
SMILESC=C/C=C\CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2C(=C)/C=C\C=C/N1
InChIInChI=1S/C30H25N/c1-3-4-11-20-30(23-14-6-5-7-15-23)25-17-9-8-16-24(25)29-26(30)18-19-27-28(29)22(2)13-10-12-21-31-27/h3-19,21,31H,1-2,20H2/b11-4-,13-10-,21-12-
InChIKeyFRZXNXYSHLFYQS-OXBPPJKYSA-N
XLogP7.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene with MolForge

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Related Compounds

14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 145092871
N-[1-[4-[(5E)-5-[(Z)-but-2-enylidene]-6-methylidene-11-[(2Z)-penta-2,4-dienyl]benzo[a]fluoren-11-yl]phenyl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 145186864
benzene-1,2-diamine;(Z)-hex-2-ene;(16Z,18Z)-9,9,14-trimethyl-20-methylidene-15-azatetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11,16,18-octaene
CID 145085232
9-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]-2-methyl-9-[(2Z)-penta-2,4-dienyl]fluorene
CID 142481380
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
2-phenyl-2-prop-2-enylindene-1,3-dione
CID 5121496
N'-(cyclohexa-1,5-dien-1-ylmethyl)-4-[11-[(2Z,4Z)-hepta-2,4,6-trienyl]benzo[a]fluoren-11-yl]-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide;ethane
CID 145186871
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
4-penta-2,4-dienylisoindole-1,3-dione
CID 87978510
2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene
CID 145266623
(Z)-2-[2-[(2Z)-penta-2,4-dienyl]-5-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-2-phenylethenamine
CID 145340860
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene?
The IUPAC name of (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene (CID 145080312) is (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene.
What is the SMILES notation for (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene?
The canonical SMILES for (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene is C=C/C=C\CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2C(=C)/C=C\C=C/N1.
What is the InChIKey of (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene?
The InChIKey is FRZXNXYSHLFYQS-OXBPPJKYSA-N. The full InChI is InChI=1S/C30H25N/c1-3-4-11-20-30(23-14-6-5-7-15-23)25-17-9-8-16-24(25)29-26(30)18-19-27-28(29)22(2)13-10-12-21-31-27/h3-19,21,31H,1-2,20H2/b11-4-,13-10-,21-12-.
What are the key properties of (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene?
(4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene has a molecular weight of 399.54 g/mol, XLogP of 7.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-methylidene-13-[(2Z)-penta-2,4-dienyl]-13-phenyl-8-azatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14,16,18-octaene is sourced from PubChem (CID 145080312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).