(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene

C40H38 — CID 145302952

IUPAC(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene
SMILESC=C/C(=C\C=C/C)C12C/C(=C\C=C/C(=C)C(C(/C=C\C)=C/C)(c3ccccc3)c3ccccc31)c1ccccc12
InChIInChI=1S/C40H38/c1-6-10-22-32(8-3)39-29-31(35-25-14-15-26-36(35)39)21-18-20-30(5)40(33(9-4)19-7-2,34-23-12-11-13-24-34)38-28-17-16-27-37(38)39/h6-28H,3,5,29H2,1-2,4H3/b10-6-,19-7-,20-18-,31-21+,32-22+,33-9+
InChIKeyGOFAICJQDUVCMK-DHFQUCOLSA-N
MW518.74 g/mol
LogP10.38
Rot. Bonds6

About (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene

(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene (PubChem CID 145302952) has the molecular formula C40H38 and a molecular weight of 518.74 g/mol. Its IUPAC name is (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene.

Molecular Properties

Compound Name(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene
PubChem CID145302952
Molecular FormulaC40H38
Molecular Weight518.74 g/mol
Exact Mass518.30
IUPAC Name(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene
SMILESC=C/C(=C\C=C/C)C12C/C(=C\C=C/C(=C)C(C(/C=C\C)=C/C)(c3ccccc3)c3ccccc31)c1ccccc12
InChIInChI=1S/C40H38/c1-6-10-22-32(8-3)39-29-31(35-25-14-15-26-36(35)39)21-18-20-30(5)40(33(9-4)19-7-2,34-23-12-11-13-24-34)38-28-17-16-27-37(38)39/h6-28H,3,5,29H2,1-2,4H3/b10-6-,19-7-,20-18-,31-21+,32-22+,33-9+
InChIKeyGOFAICJQDUVCMK-DHFQUCOLSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene with MolForge

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Related Compounds

9-cyclohexa-1,5-dien-3-yn-1-yl-9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]fluorene
CID 144983528
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
CID 144566390
9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
CID 145055361
13-cyclohepta-1,3,4,6-tetraen-1-yl-1-[(3E,5Z)-hepta-3,5-dien-1-yn-3-yl]-13-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145303073
9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
CID 142585263
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
CID 143006458
[3,4-bis(ethenyl)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]benzene
CID 163389057
(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
CID 175618612
3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole
CID 170389500
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3,3-dimethyl-1-phenylinden-2-one
CID 138623375
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
CID 142515593
2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene
CID 167499533

Frequently Asked Questions

What is the IUPAC name of (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene?
The IUPAC name of (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene (CID 145302952) is (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene.
What is the SMILES notation for (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene?
The canonical SMILES for (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene is C=C/C(=C\C=C/C)C12C/C(=C\C=C/C(=C)C(C(/C=C\C)=C/C)(c3ccccc3)c3ccccc31)c1ccccc12.
What is the InChIKey of (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene?
The InChIKey is GOFAICJQDUVCMK-DHFQUCOLSA-N. The full InChI is InChI=1S/C40H38/c1-6-10-22-32(8-3)39-29-31(35-25-14-15-26-36(35)39)21-18-20-30(5)40(33(9-4)19-7-2,34-23-12-11-13-24-34)38-28-17-16-27-37(38)39/h6-28H,3,5,29H2,1-2,4H3/b10-6-,19-7-,20-18-,31-21+,32-22+,33-9+.
What are the key properties of (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene?
(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene has a molecular weight of 518.74 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene is sourced from PubChem (CID 145302952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).