7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene

C46H28O2 — CID 130212365

IUPAC7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
SMILESC1=CC2=CC=C(c3c4ccccc4c(-c4ccc5oc6c(ccc7c6ccc6c8ccccc8oc67)c5c4)c4ccccc34)CC2C=C1
InChIInChI=1S/C46H28O2/c1-2-10-28-25-29(18-17-27(28)9-1)43-32-12-3-5-14-34(32)44(35-15-6-4-13-33(35)43)30-19-24-42-40(26-30)39-23-22-37-38(46(39)48-42)21-20-36-31-11-7-8-16-41(31)47-45(36)37/h1-24,26,28H,25H2
InChIKeyUBAJBNONUCJPDK-UHFFFAOYSA-N
MW612.73 g/mol
LogP13.07
Rot. Bonds2

About 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene

7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene (PubChem CID 130212365) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
PubChem CID130212365
Molecular FormulaC46H28O2
Molecular Weight612.73 g/mol
Exact Mass612.21
IUPAC Name7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
SMILESC1=CC2=CC=C(c3c4ccccc4c(-c4ccc5oc6c(ccc7c6ccc6c8ccccc8oc67)c5c4)c4ccccc34)CC2C=C1
InChIInChI=1S/C46H28O2/c1-2-10-28-25-29(18-17-27(28)9-1)43-32-12-3-5-14-34(32)44(35-15-6-4-13-33(35)43)30-19-24-42-40(26-30)39-23-22-37-38(46(39)48-42)21-20-36-31-11-7-8-16-41(31)47-45(36)37/h1-24,26,28H,25H2
InChIKeyUBAJBNONUCJPDK-UHFFFAOYSA-N
XLogP13.07
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212616
5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 130212543
9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126589944
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol
CID 130212548
20-[10-(5-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163886915
19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 167022277
7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212408
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
18-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)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 130212354
5-[3-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),19-decaene
CID 163644189

Frequently Asked Questions

What is the IUPAC name of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
The IUPAC name of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene (CID 130212365) is 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
The canonical SMILES for 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene is C1=CC2=CC=C(c3c4ccccc4c(-c4ccc5oc6c(ccc7c6ccc6c8ccccc8oc67)c5c4)c4ccccc34)CC2C=C1.
What is the InChIKey of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
The InChIKey is UBAJBNONUCJPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-2-10-28-25-29(18-17-27(28)9-1)43-32-12-3-5-14-34(32)44(35-15-6-4-13-33(35)43)30-19-24-42-40(26-30)39-23-22-37-38(46(39)48-42)21-20-36-31-11-7-8-16-41(31)47-45(36)37/h1-24,26,28H,25H2.
What are the key properties of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene has a molecular weight of 612.73 g/mol, XLogP of 13.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 130212365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).