7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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

C46H32O2 — CID 155721775

IUPAC7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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
SMILESC=Cc1cccc(-c2c(C=C)c(C=C)c(-c3cc4oc5cc6oc7ccccc7c6cc5c4c(C=C)c3C=C)c3ccccc23)c1C=C
InChIInChI=1S/C46H32O2/c1-7-27-18-17-22-34(28(27)8-2)44-31(11-5)32(12-6)45(36-21-14-13-20-35(36)44)38-25-43-46(30(10-4)29(38)9-3)39-24-37-33-19-15-16-23-40(33)47-41(37)26-42(39)48-43/h7-26H,1-6H2
InChIKeySWZJPRDPDFKQSU-UHFFFAOYSA-N
MW616.76 g/mol
LogP13.83
Rot. Bonds8

About 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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

7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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 (PubChem CID 155721775) has the molecular formula C46H32O2 and a molecular weight of 616.76 g/mol. Its IUPAC name is 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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.

Molecular Properties

Compound Name7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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
PubChem CID155721775
Molecular FormulaC46H32O2
Molecular Weight616.76 g/mol
Exact Mass616.24
IUPAC Name7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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
SMILESC=Cc1cccc(-c2c(C=C)c(C=C)c(-c3cc4oc5cc6oc7ccccc7c6cc5c4c(C=C)c3C=C)c3ccccc23)c1C=C
InChIInChI=1S/C46H32O2/c1-7-27-18-17-22-34(28(27)8-2)44-31(11-5)32(12-6)45(36-21-14-13-20-35(36)44)38-25-43-46(30(10-4)29(38)9-3)39-24-37-33-19-15-16-23-40(33)47-41(37)26-42(39)48-43/h7-26H,1-6H2
InChIKeySWZJPRDPDFKQSU-UHFFFAOYSA-N
XLogP13.83
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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 with MolForge

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Related Compounds

3-bromo-1,2-bis(ethenyl)dibenzofuran
CID 145377478
9-[2,3-bis(ethenyl)phenyl]-10-naphthalen-1-ylanthracene
CID 90899985
9-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185294
10,14,16-trioxahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
CID 176865658
7-[4-(10-naphthalen-1-ylanthracen-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 122415800
6,7-bis(ethenyl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 166096190
6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 174264041
7-(10-naphthalen-1-ylanthracen-9-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 122425860
6-[10-[2,3-bis(ethenyl)-4-phenylphenyl]anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130212404
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185327
8-anthracen-9-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 170654328

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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?
The IUPAC name of 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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 155721775) is 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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.
What is the SMILES notation for 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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?
The canonical SMILES for 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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 is C=Cc1cccc(-c2c(C=C)c(C=C)c(-c3cc4oc5cc6oc7ccccc7c6cc5c4c(C=C)c3C=C)c3ccccc23)c1C=C.
What is the InChIKey of 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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?
The InChIKey is SWZJPRDPDFKQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O2/c1-7-27-18-17-22-34(28(27)8-2)44-31(11-5)32(12-6)45(36-21-14-13-20-35(36)44)38-25-43-46(30(10-4)29(38)9-3)39-24-37-33-19-15-16-23-40(33)47-41(37)26-42(39)48-43/h7-26H,1-6H2.
What are the key properties of 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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?
7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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 has a molecular weight of 616.76 g/mol, XLogP of 13.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-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 is sourced from PubChem (CID 155721775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).