6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C48H32O2 — CID 130212413

IUPAC6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESC/C=C\C=C(/C)c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)c3ccccc23)c2ccccc12
InChIInChI=1S/C48H32O2/c1-3-4-13-29(2)31-23-24-39(33-15-6-5-14-32(31)33)48-37-19-9-7-17-35(37)47(36-18-8-10-20-38(36)48)30-22-25-44-40(26-30)42-28-45-41(27-46(42)50-44)34-16-11-12-21-43(34)49-45/h3-28H,1-2H3/b4-3-,29-13+
InChIKeyHSUZLJLWGVGKRR-WYTVMQCKSA-N
MW640.78 g/mol
LogP14.26
Rot. Bonds4

About 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 130212413) has the molecular formula C48H32O2 and a molecular weight of 640.78 g/mol. Its IUPAC name is 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID130212413
Molecular FormulaC48H32O2
Molecular Weight640.78 g/mol
Exact Mass640.24
IUPAC Name6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESC/C=C\C=C(/C)c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)c3ccccc23)c2ccccc12
InChIInChI=1S/C48H32O2/c1-3-4-13-29(2)31-23-24-39(33-15-6-5-14-32(31)33)48-37-19-9-7-17-35(37)47(36-18-8-10-20-38(36)48)30-22-25-44-40(26-30)42-28-45-41(27-46(42)50-44)34-16-11-12-21-43(34)49-45/h3-28H,1-2H3/b4-3-,29-13+
InChIKeyHSUZLJLWGVGKRR-WYTVMQCKSA-N
XLogP14.26
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.78
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Related Compounds

19-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-15,15-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
CID 130211838
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
CID 170375637
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427142
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122426272
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
9-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185533

Frequently Asked Questions

What is the IUPAC name of 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 130212413) is 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is C/C=C\C=C(/C)c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)c3ccccc23)c2ccccc12.
What is the InChIKey of 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is HSUZLJLWGVGKRR-WYTVMQCKSA-N. The full InChI is InChI=1S/C48H32O2/c1-3-4-13-29(2)31-23-24-39(33-15-6-5-14-32(31)33)48-37-19-9-7-17-35(37)47(36-18-8-10-20-38(36)48)30-22-25-44-40(26-30)42-28-45-41(27-46(42)50-44)34-16-11-12-21-43(34)49-45/h3-28H,1-2H3/b4-3-,29-13+.
What are the key properties of 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 640.78 g/mol, XLogP of 14.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 130212413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).