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

C52H32O2 — CID 130212408

IUPAC7-[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
SMILESC1=CC2C(c3ccccc3)=CC=C(c3c4ccccc4c(-c4ccc5oc6c7cc8oc9ccccc9c8cc7ccc6c5c4)c4ccccc34)C2C=C1
InChIInChI=1S/C52H32O2/c1-2-12-31(13-3-1)34-25-26-42(36-15-5-4-14-35(34)36)51-40-19-8-6-17-38(40)50(39-18-7-9-20-41(39)51)33-23-27-48-46(29-33)43-24-22-32-28-45-37-16-10-11-21-47(37)53-49(45)30-44(32)52(43)54-48/h1-30,35-36H
InChIKeyMRTNPBBBQWEWAY-UHFFFAOYSA-N
MW688.83 g/mol
LogP14.45
Rot. Bonds3

About 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

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 (PubChem CID 130212408) has the molecular formula C52H32O2 and a molecular weight of 688.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID130212408
Molecular FormulaC52H32O2
Molecular Weight688.83 g/mol
Exact Mass688.24
IUPAC Name7-[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
SMILESC1=CC2C(c3ccccc3)=CC=C(c3c4ccccc4c(-c4ccc5oc6c7cc8oc9ccccc9c8cc7ccc6c5c4)c4ccccc34)C2C=C1
InChIInChI=1S/C52H32O2/c1-2-12-31(13-3-1)34-25-26-42(36-15-5-4-14-35(34)36)51-40-19-8-6-17-38(40)50(39-18-7-9-20-41(39)51)33-23-27-48-46(29-33)43-24-22-32-28-45-37-16-10-11-21-47(37)53-49(45)30-44(32)52(43)54-48/h1-30,35-36H
InChIKeyMRTNPBBBQWEWAY-UHFFFAOYSA-N
XLogP14.45
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 514.45
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-(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 with MolForge

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Related Compounds

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
7-[4-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-oxa-22-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 130212778
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130190316
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185583
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159706352
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(2,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)dibenzofuran;2-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 167547924
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
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
8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264411
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
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
19-[3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-15-oxa-9-thiahexacyclo[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 163679675

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C(c3ccccc3)=CC=C(c3c4ccccc4c(-c4ccc5oc6c7cc8oc9ccccc9c8cc7ccc6c5c4)c4ccccc34)C2C=C1.
What is the InChIKey of 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?
The InChIKey is MRTNPBBBQWEWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O2/c1-2-12-31(13-3-1)34-25-26-42(36-15-5-4-14-35(34)36)51-40-19-8-6-17-38(40)50(39-18-7-9-20-41(39)51)33-23-27-48-46(29-33)43-24-22-32-28-45-37-16-10-11-21-47(37)53-49(45)30-44(32)52(43)54-48/h1-30,35-36H.
What are the key properties of 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?
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 has a molecular weight of 688.83 g/mol, XLogP of 14.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130212408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).