9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C54H32O2 — CID 130185488

IUPAC9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c(ccc8c9ccccc9oc87)c6c6ccccc56)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C54H32O2/c1-2-13-33(14-3-1)36-15-12-16-37(31-36)51-43-22-8-6-20-41(43)50(42-21-7-9-23-44(42)51)35-27-25-34(26-28-35)47-32-49-52(40-19-5-4-17-38(40)47)46-30-29-45-39-18-10-11-24-48(39)55-53(45)54(46)56-49/h1-32H
InChIKeyWLYNEAUMOWFPDU-UHFFFAOYSA-N
MW712.85 g/mol
LogP15.61
Rot. Bonds4

About 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 130185488) has the molecular formula C54H32O2 and a molecular weight of 712.85 g/mol. Its IUPAC name is 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID130185488
Molecular FormulaC54H32O2
Molecular Weight712.85 g/mol
Exact Mass712.24
IUPAC Name9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c(ccc8c9ccccc9oc87)c6c6ccccc56)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C54H32O2/c1-2-13-33(14-3-1)36-15-12-16-37(31-36)51-43-22-8-6-20-41(43)50(42-21-7-9-23-44(42)51)35-27-25-34(26-28-35)47-32-49-52(40-19-5-4-17-38(40)47)46-30-29-45-39-18-10-11-24-48(39)55-53(45)54(46)56-49/h1-32H
InChIKeyWLYNEAUMOWFPDU-UHFFFAOYSA-N
XLogP15.61
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130185320
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
9-[4-(10-phenylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185275
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
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
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-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 88568798
17-[10-(3-phenylphenyl)anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433560
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 176590367

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 130185488) is 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c(ccc8c9ccccc9oc87)c6c6ccccc56)cc4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is WLYNEAUMOWFPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O2/c1-2-13-33(14-3-1)36-15-12-16-37(31-36)51-43-22-8-6-20-41(43)50(42-21-7-9-23-44(42)51)35-27-25-34(26-28-35)47-32-49-52(40-19-5-4-17-38(40)47)46-30-29-45-39-18-10-11-24-48(39)55-53(45)54(46)56-49/h1-32H.
What are the key properties of 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 712.85 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 130185488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).