(6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene

C48H36O2 — CID 130212492

IUPAC(6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
SMILESC=C/C=C\C(=C)c1ccccccc(-c2cccc(C/C=c3\c(=C/C)oc4c3ccc3cc5c(cc34)oc3ccccc35)c2)c2ccccc12
InChIInChI=1S/C48H36O2/c1-4-6-16-32(3)36-19-9-7-8-10-20-37(39-22-12-11-21-38(36)39)34-18-15-17-33(29-34)25-27-41-42-28-26-35-30-44-40-23-13-14-24-46(40)49-47(44)31-43(35)48(42)50-45(41)5-2/h4-24,26-31H,1,3,25H2,2H3/b8-7-,9-7-,10-8-,16-6-,19-9+,20-10+,36-19+,37-20+,38-36+,39-37+,41-27-,45-5+
InChIKeyZVJUENYCZUYNHP-IFCNJALASA-N
MW644.81 g/mol
LogP12.01
Rot. Bonds6

About (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene

(6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene (PubChem CID 130212492) has the molecular formula C48H36O2 and a molecular weight of 644.81 g/mol. Its IUPAC name is (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene.

Molecular Properties

Compound Name(6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
PubChem CID130212492
Molecular FormulaC48H36O2
Molecular Weight644.81 g/mol
Exact Mass644.27
IUPAC Name(6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
SMILESC=C/C=C\C(=C)c1ccccccc(-c2cccc(C/C=c3\c(=C/C)oc4c3ccc3cc5c(cc34)oc3ccccc35)c2)c2ccccc12
InChIInChI=1S/C48H36O2/c1-4-6-16-32(3)36-19-9-7-8-10-20-37(39-22-12-11-21-38(36)39)34-18-15-17-33(29-34)25-27-41-42-28-26-35-30-44-40-23-13-14-24-46(40)49-47(44)31-43(35)48(42)50-45(41)5-2/h4-24,26-31H,1,3,25H2,2H3/b8-7-,9-7-,10-8-,16-6-,19-9+,20-10+,36-19+,37-20+,38-36+,39-37+,41-27-,45-5+
InChIKeyZVJUENYCZUYNHP-IFCNJALASA-N
XLogP12.01
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.81
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene with MolForge

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Related Compounds

18-[3-[12-[3-[(1Z)-buta-1,3-dienyl]phenyl]benzo[10]annulen-5-yl]phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130212550
(6Z)-5-methylidene-6-[2-[5-[1-[2-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]phenyl]ethenyl]benzo[10]annulen-12-yl]prop-2-enylidene]-4,20-dioxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
CID 130212414
(6Z)-5-methylidene-6-[2-[5-[1-[2-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]phenyl]ethenyl]benzo[10]annulen-12-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
CID 130212689
4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran
CID 142505023
7,10-bis[3-(6-phenylpyren-1-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 170939838
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146652375
7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 174184738
2-(3-methylphenyl)-4-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112783
7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 122415581
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
18-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130213645
3-[(3Z)-hexa-1,3,5-trien-2-yl]-7-(7-phenanthren-9-ylnaphthalen-2-yl)dibenzofuran
CID 58569362

Frequently Asked Questions

What is the IUPAC name of (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The IUPAC name of (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene (CID 130212492) is (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene.
What is the SMILES notation for (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The canonical SMILES for (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene is C=C/C=C\C(=C)c1ccccccc(-c2cccc(C/C=c3\c(=C/C)oc4c3ccc3cc5c(cc34)oc3ccccc35)c2)c2ccccc12.
What is the InChIKey of (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The InChIKey is ZVJUENYCZUYNHP-IFCNJALASA-N. The full InChI is InChI=1S/C48H36O2/c1-4-6-16-32(3)36-19-9-7-8-10-20-37(39-22-12-11-21-38(36)39)34-18-15-17-33(29-34)25-27-41-42-28-26-35-30-44-40-23-13-14-24-46(40)49-47(44)31-43(35)48(42)50-45(41)5-2/h4-24,26-31H,1,3,25H2,2H3/b8-7-,9-7-,10-8-,16-6-,19-9+,20-10+,36-19+,37-20+,38-36+,39-37+,41-27-,45-5+.
What are the key properties of (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
(6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene has a molecular weight of 644.81 g/mol, XLogP of 12.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7Z)-6-ethylidene-7-[2-[3-[5-[(3Z)-hexa-1,3,5-trien-2-yl]benzo[10]annulen-12-yl]phenyl]ethylidene]-5,20-dioxapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene is sourced from PubChem (CID 130212492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).