11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene

C52H30OS — CID 130190587

IUPAC11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7c8ccccc8ccc7c6c6oc7ccccc7c56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C52H30OS/c1-2-13-35-29-36(26-21-31(35)11-1)48-40-17-7-5-15-38(40)47(39-16-6-8-18-41(39)48)34-24-22-33(23-25-34)44-30-46-50(51-49(44)42-19-9-10-20-45(42)53-51)43-28-27-32-12-3-4-14-37(32)52(43)54-46/h1-30H
InChIKeyZOQHMHFNJWWBAX-UHFFFAOYSA-N
MW702.88 g/mol
LogP15.57
Rot. Bonds3

About 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene

11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene (PubChem CID 130190587) has the molecular formula C52H30OS and a molecular weight of 702.88 g/mol. Its IUPAC name is 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
PubChem CID130190587
Molecular FormulaC52H30OS
Molecular Weight702.88 g/mol
Exact Mass702.20
IUPAC Name11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7c8ccccc8ccc7c6c6oc7ccccc7c56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C52H30OS/c1-2-13-35-29-36(26-21-31(35)11-1)48-40-17-7-5-15-38(40)47(39-16-6-8-18-41(39)48)34-24-22-33(23-25-34)44-30-46-50(51-49(44)42-19-9-10-20-45(42)53-51)43-28-27-32-12-3-4-14-37(32)52(43)54-46/h1-30H
InChIKeyZOQHMHFNJWWBAX-UHFFFAOYSA-N
XLogP15.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.88
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[10-[4-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 130189070
11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130190252
15-(10-naphthalen-2-ylanthracen-9-yl)-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130190089
3-naphtho[1,2-b][1]benzothiol-8-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167306835
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-naphthalen-2-yl-4-[2-[10-(6-naphthalen-2-yldibenzothiophen-1-yl)-9-phenylanthracen-2-yl]-10-phenylanthracen-9-yl]dibenzofuran
CID 166897097
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307
11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122425864
21-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185681
19-(10-naphthalen-2-ylanthracen-9-yl)-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 163718640
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185814
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran
CID 171449624

Frequently Asked Questions

What is the IUPAC name of 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene (CID 130190587) is 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7c8ccccc8ccc7c6c6oc7ccccc7c56)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
The InChIKey is ZOQHMHFNJWWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30OS/c1-2-13-35-29-36(26-21-31(35)11-1)48-40-17-7-5-15-38(40)47(39-16-6-8-18-41(39)48)34-24-22-33(23-25-34)44-30-46-50(51-49(44)42-19-9-10-20-45(42)53-51)43-28-27-32-12-3-4-14-37(32)52(43)54-46/h1-30H.
What are the key properties of 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene has a molecular weight of 702.88 g/mol, XLogP of 15.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 130190587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).