9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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

C52H30O2 — CID 130185389

IUPAC9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5oc6cc7c(cc6c5c5ccccc45)oc4ccccc47)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-14-31(15-3-1)50-38-21-8-10-23-40(38)51(41-24-11-9-22-39(41)50)42-27-26-35(32-16-4-5-17-33(32)42)43-28-49-52(37-20-7-6-18-34(37)43)45-30-47-44(29-48(45)54-49)36-19-12-13-25-46(36)53-47/h1-30H
InChIKeyIXERQFWBLXROSK-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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

9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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 (PubChem CID 130185389) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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.

Molecular Properties

Compound Name9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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
PubChem CID130185389
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5oc6cc7c(cc6c5c5ccccc45)oc4ccccc47)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-14-31(15-3-1)50-38-21-8-10-23-40(38)51(41-24-11-9-22-39(41)50)42-27-26-35(32-16-4-5-17-33(32)42)43-28-49-52(37-20-7-6-18-34(37)43)45-30-47-44(29-48(45)54-49)36-19-12-13-25-46(36)53-47/h1-30H
InChIKeyIXERQFWBLXROSK-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.10
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-phenylanthracen-9-yl)naphthalen-1-yl]-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 with MolForge

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Related Compounds

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-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185356
9-[4-(10-dibenzofuran-2-ylanthracen-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 130185533
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
9-[4-(10-naphthalen-2-ylanthracen-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 130185328
9-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185294
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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 130185420
21-phenanthren-9-yl-14-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 130208112
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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?
The IUPAC name of 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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 130185389) is 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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.
What is the SMILES notation for 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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?
The canonical SMILES for 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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 is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5oc6cc7c(cc6c5c5ccccc45)oc4ccccc47)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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?
The InChIKey is IXERQFWBLXROSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-14-31(15-3-1)50-38-21-8-10-23-40(38)51(41-24-11-9-22-39(41)50)42-27-26-35(32-16-4-5-17-33(32)42)43-28-49-52(37-20-7-6-18-34(37)43)45-30-47-44(29-48(45)54-49)36-19-12-13-25-46(36)53-47/h1-30H.
What are the key properties of 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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?
9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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 has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-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 is sourced from PubChem (CID 130185389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).