6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

C52H30OS — CID 147777822

IUPAC6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7cc8c(cc7cc6c5c4)sc4ccccc48)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30OS/c1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-24-23-35(36-14-4-5-15-37(36)43)32-22-25-47-44(26-32)45-27-34-30-50-46(28-33(34)29-48(45)53-47)38-16-10-11-21-49(38)54-50/h1-30H
InChIKeyHHEPRANULZOJMR-UHFFFAOYSA-N
MW702.88 g/mol
LogP15.57
Rot. Bonds3

About 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 147777822) has the molecular formula C52H30OS and a molecular weight of 702.88 g/mol. Its IUPAC name is 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
PubChem CID147777822
Molecular FormulaC52H30OS
Molecular Weight702.88 g/mol
Exact Mass702.20
IUPAC Name6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7cc8c(cc7cc6c5c4)sc4ccccc48)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30OS/c1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-24-23-35(36-14-4-5-15-37(36)43)32-22-25-47-44(26-32)45-27-34-30-50-46(28-33(34)29-48(45)53-47)38-16-10-11-21-49(38)54-50/h1-30H
InChIKeyHHEPRANULZOJMR-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 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 163891654
6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 163607893
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
18-[3-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130212753
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185619
3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
2-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)dibenzofuran
CID 118503667
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-(10-phenanthren-3-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 158713118
CID 165025337
CID 165025337
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (CID 147777822) is 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7cc8c(cc7cc6c5c4)sc4ccccc48)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The InChIKey is HHEPRANULZOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30OS/c1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-24-23-35(36-14-4-5-15-37(36)43)32-22-25-47-44(26-32)45-27-34-30-50-46(28-33(34)29-48(45)53-47)38-16-10-11-21-49(38)54-50/h1-30H.
What are the key properties of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-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 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 147777822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).