7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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

C53H34O2 — CID 130198999

IUPAC7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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
SMILESC=Cc1c(/C=C\C)ccc2c1oc1cc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)c3oc4ccccc4c3c12
InChIInChI=1S/C53H34O2/c1-3-14-33-27-28-44-50-47(55-52(44)38(33)4-2)31-45(53-51(50)43-23-11-12-24-46(43)54-53)35-17-13-18-36(30-35)48-39-19-7-9-21-41(39)49(42-22-10-8-20-40(42)48)37-26-25-32-15-5-6-16-34(32)29-37/h3-31H,2H2,1H3/b14-3-
InChIKeyGHLRGAVGUPLBMQ-BNNQUZSASA-N
MW702.85 g/mol
LogP15.62
Rot. Bonds5

About 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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

7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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 (PubChem CID 130198999) has the molecular formula C53H34O2 and a molecular weight of 702.85 g/mol. Its IUPAC name is 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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.

Molecular Properties

Compound Name7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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
PubChem CID130198999
Molecular FormulaC53H34O2
Molecular Weight702.85 g/mol
Exact Mass702.26
IUPAC Name7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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
SMILESC=Cc1c(/C=C\C)ccc2c1oc1cc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)c3oc4ccccc4c3c12
InChIInChI=1S/C53H34O2/c1-3-14-33-27-28-44-50-47(55-52(44)38(33)4-2)31-45(53-51(50)43-23-11-12-24-46(43)54-53)35-17-13-18-36(30-35)48-39-19-7-9-21-41(39)49(42-22-10-8-20-40(42)48)37-26-25-32-15-5-6-16-34(32)29-37/h3-31H,2H2,1H3/b14-3-
InChIKeyGHLRGAVGUPLBMQ-BNNQUZSASA-N
XLogP15.62
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.85
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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 with MolForge

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Related Compounds

7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran
CID 167085496
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130190252
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130190182
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176745941
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122431837
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
11-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
CID 164818022
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-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 122427327

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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?
The IUPAC name of 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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 130198999) is 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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.
What is the SMILES notation for 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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?
The canonical SMILES for 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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 is C=Cc1c(/C=C\C)ccc2c1oc1cc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)c3oc4ccccc4c3c12.
What is the InChIKey of 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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?
The InChIKey is GHLRGAVGUPLBMQ-BNNQUZSASA-N. The full InChI is InChI=1S/C53H34O2/c1-3-14-33-27-28-44-50-47(55-52(44)38(33)4-2)31-45(53-51(50)43-23-11-12-24-46(43)54-53)35-17-13-18-36(30-35)48-39-19-7-9-21-41(39)49(42-22-10-8-20-40(42)48)37-26-25-32-15-5-6-16-34(32)29-37/h3-31H,2H2,1H3/b14-3-.
What are the key properties of 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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?
7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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 has a molecular weight of 702.85 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-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 is sourced from PubChem (CID 130198999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).