6-[4-(10-phenylanthracen-9-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(21),17-decaene

C48H30O2 — CID 163586642

IUPAC6-[4-(10-phenylanthracen-9-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(21),17-decaene
SMILESC1=Cc2c(oc3cc4c(ccc5oc6cc(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)ccc6c54)cc23)CC1
InChIInChI=1S/C48H30O2/c1-2-10-30(11-3-1)46-35-13-4-6-15-37(35)47(38-16-7-5-14-36(38)46)31-20-18-29(19-21-31)32-22-24-39-44(27-32)50-43-25-23-33-26-41-34-12-8-9-17-42(34)49-45(41)28-40(33)48(39)43/h1-8,10-16,18-28H,9,17H2
InChIKeyQPMPQBCRHGENCK-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.75
Rot. Bonds3

About 6-[4-(10-phenylanthracen-9-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(21),17-decaene

6-[4-(10-phenylanthracen-9-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(21),17-decaene (PubChem CID 163586642) has the molecular formula C48H30O2 and a molecular weight of 638.77 g/mol. Its IUPAC name is 6-[4-(10-phenylanthracen-9-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(21),17-decaene.

Molecular Properties

Compound Name6-[4-(10-phenylanthracen-9-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(21),17-decaene
PubChem CID163586642
Molecular FormulaC48H30O2
Molecular Weight638.77 g/mol
Exact Mass638.22
IUPAC Name6-[4-(10-phenylanthracen-9-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(21),17-decaene
SMILESC1=Cc2c(oc3cc4c(ccc5oc6cc(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)ccc6c54)cc23)CC1
InChIInChI=1S/C48H30O2/c1-2-10-30(11-3-1)46-35-13-4-6-15-37(35)47(38-16-7-5-14-36(38)46)31-20-18-29(19-21-31)32-22-24-39-44(27-32)50-43-25-23-33-26-41-34-12-8-9-17-42(34)49-45(41)28-40(33)48(39)43/h1-8,10-16,18-28H,9,17H2
InChIKeyQPMPQBCRHGENCK-UHFFFAOYSA-N
XLogP13.75
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[4-(10-phenylanthracen-9-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(21),17-decaene with MolForge

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Related Compounds

20-[6-(10-phenylanthracen-9-yl)naphthalen-2-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 130213581
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-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 130225797
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
6-[6-(10-phenylanthracen-9-yl)naphthalen-2-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 130213574
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007473
20-[5-(10-phenylanthracen-9-yl)cyclohexa-1,5-dien-1-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 163563234

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-phenylanthracen-9-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(21),17-decaene?
The IUPAC name of 6-[4-(10-phenylanthracen-9-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(21),17-decaene (CID 163586642) is 6-[4-(10-phenylanthracen-9-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(21),17-decaene.
What is the SMILES notation for 6-[4-(10-phenylanthracen-9-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(21),17-decaene?
The canonical SMILES for 6-[4-(10-phenylanthracen-9-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(21),17-decaene is C1=Cc2c(oc3cc4c(ccc5oc6cc(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)ccc6c54)cc23)CC1.
What is the InChIKey of 6-[4-(10-phenylanthracen-9-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(21),17-decaene?
The InChIKey is QPMPQBCRHGENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2/c1-2-10-30(11-3-1)46-35-13-4-6-15-37(35)47(38-16-7-5-14-36(38)46)31-20-18-29(19-21-31)32-22-24-39-44(27-32)50-43-25-23-33-26-41-34-12-8-9-17-42(34)49-45(41)28-40(33)48(39)43/h1-8,10-16,18-28H,9,17H2.
What are the key properties of 6-[4-(10-phenylanthracen-9-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(21),17-decaene?
6-[4-(10-phenylanthracen-9-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(21),17-decaene has a molecular weight of 638.77 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-phenylanthracen-9-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(21),17-decaene is sourced from PubChem (CID 163586642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).