6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene

C55H32OS — CID 130225327

IUPAC6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)sc5ccc7ccc8c9ccccc9oc8c7c56)cc3C4)c3ccccc23)cc1
InChIInChI=1S/C55H32OS/c1-2-10-32(11-3-1)51-41-13-4-6-15-43(41)52(44-16-7-5-14-42(44)51)37-19-18-36-29-38-28-34(21-24-39(38)47(36)30-37)35-22-26-46-50(31-35)57-49-27-23-33-20-25-45-40-12-8-9-17-48(40)56-55(45)53(33)54(46)49/h1-28,30-31H,29H2
InChIKeyIPZNGQJXUTTXHH-UHFFFAOYSA-N
MW740.93 g/mol
LogP15.99
Rot. Bonds3

About 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene

6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene (PubChem CID 130225327) has the molecular formula C55H32OS and a molecular weight of 740.93 g/mol. Its IUPAC name is 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
PubChem CID130225327
Molecular FormulaC55H32OS
Molecular Weight740.93 g/mol
Exact Mass740.22
IUPAC Name6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)sc5ccc7ccc8c9ccccc9oc8c7c56)cc3C4)c3ccccc23)cc1
InChIInChI=1S/C55H32OS/c1-2-10-32(11-3-1)51-41-13-4-6-15-43(41)52(44-16-7-5-14-42(44)51)37-19-18-36-29-38-28-34(21-24-39(38)47(36)30-37)35-22-26-46-50(31-35)57-49-27-23-33-20-25-45-40-12-8-9-17-48(40)56-55(45)53(33)54(46)49/h1-28,30-31H,29H2
InChIKeyIPZNGQJXUTTXHH-UHFFFAOYSA-N
XLogP15.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.93
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

6-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[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 130212924
9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-23-oxa-12-thiahexacyclo[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 130185838
17-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-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 122426435
9-[9,9-dimethyl-6-(10-phenylanthracen-9-yl)fluoren-1-yl]-23-oxa-12-thiahexacyclo[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 130185899
6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426398
9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23-oxa-12-thiahexacyclo[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 130185881
12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122415855
6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190593
19-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 155312879
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,23-dioxahexacyclo[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 130213583
6-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426392
1-phenyl-2-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
CID 176743096

Frequently Asked Questions

What is the IUPAC name of 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene?
The IUPAC name of 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene (CID 130225327) is 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene?
The canonical SMILES for 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)sc5ccc7ccc8c9ccccc9oc8c7c56)cc3C4)c3ccccc23)cc1.
What is the InChIKey of 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene?
The InChIKey is IPZNGQJXUTTXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32OS/c1-2-10-32(11-3-1)51-41-13-4-6-15-43(41)52(44-16-7-5-14-42(44)51)37-19-18-36-29-38-28-34(21-24-39(38)47(36)30-37)35-22-26-46-50(31-35)57-49-27-23-33-20-25-45-40-12-8-9-17-48(40)56-55(45)53(33)54(46)49/h1-28,30-31H,29H2.
What are the key properties of 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene?
6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene has a molecular weight of 740.93 g/mol, XLogP of 15.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(10-phenylanthracen-9-yl)-9H-fluoren-2-yl]-23-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 130225327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).